SCHEMBL9461

SCHEMBL9461

CC(C)(O[C]=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KIF11 P52732 2/20 0.42
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
PTPN5 P54829 1/20 0.39
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1207238 0.91 PTGS2 (0.41) MAPK1KIF11CYP2C9ALDH1A1ALOX15
SCHEMBL135667 0.88 MAPK1 (0.56) MAPK1ALDH1A1ALOX15MAPTKMT2A
SCHEMBL11041133 0.84 PTPN1 (0.46) MAPK1KIF11ALDH1A1ALOX15PTPN5
SCHEMBL1455249 0.80 ALDH1A1 (0.41) MAPK1ALDH1A1ALOX15MAPTSMN1; SMN2
SCHEMBL1455251 0.80 ALDH1A1 (0.41) MAPK1ALDH1A1ALOX15MAPTSMN1; SMN2
SCHEMBL1207241 0.79 PTGS2 (0.36) CYP2C9MAPTCYP1A2CYP1A1CYP1B1
SCHEMBL8698884 0.79 KIF11 (0.41) KIF11CYP2C9ALDH1A1PTPN5MAPT
SCHEMBL138150 0.78 TSHR (0.46) MAPK1KIF11ALDH1A1ALOX15MAPT
SCHEMBL10581655 0.75 MAPK1 (0.50) MAPK1KIF11CYP2C9ALDH1A1ALOX15
SCHEMBL19928040 0.75 MAPK1 (0.56) MAPK1KIF11CYP2C9ALDH1A1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3911 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024114776-A1 BICYCLIC ABASIC NUCLEIC ACID ANALOGS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM 上海舶望制药有限公司 2024-06-06 WO claimed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
WO-2023167545-A1 POLYBENZIMIDAZOLE WITH PROTECTING GROUPS, PREPARATION METHOD FOR MEMBRANE USING THE SAME AND USE THEREOF 한국화학연구원 2023-09-07 WO claimed
US-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-09-30 US claimed
EP-3409765-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2021-08-04 EP claimed
US-11072616-B2 Cyclic peptides targeting alpha-4-beta-7 integrin UNIVERSITE DE MONTREAL (CA) 2021-07-27 US claimed
US-10954267-B2 Dipeptide comprising a non-proteogenic amino acid NOVO NORDISK A/S (DK) 2021-03-23 US claimed
US-10414822-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2019-09-17 US claimed
US-20190002496-A1 Dipeptide Comprising a Non-Proteogenic Amino Acid NOVO NORDISK AS (DK) 2019-01-03 US claimed
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP claimed
US-5679797-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-10-21 US claimed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US claimed
US-5530124-A Method for preparing cyclic ureas and their use for the synthesis of HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-25 US claimed
US-5011940-A Process for the preparation of bicyclic amino carboxylic acids, intermediates in this process, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-30 US claimed
US-4857520-A Fused azepinone and azocinone derivatives, processes for their preparation, agents containing them and their use, and intermediates in their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-15 US claimed
US-4855486-A Blocked, marked amino acids KALBAG SURESH M (US) 1989-08-08 US claimed
EP-0292228-A2 Protecting groups for asparagine and glutamine in peptide synthesis MILLIPORE CORPORATION (US) 1988-11-23 EP claimed
US-4755558-A Using internal marker BECKMAN INSTRUMENTS, INC. (US) 1988-07-05 US claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed