SCHEMBL4669161

SCHEMBL4669161

C=C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
AKR1C3 P42330 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
NR1I3 Q14994 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
CXCL8 P10145 1/20 0.46
TSHR P16473 1/20 0.46
AKR1C2 P52895 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL9814328 0.85 TAAR1 (0.36) LMNAESR1MEN1ALDH1A1HPGD
SCHEMBL7186037 0.84 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8677286 0.83 TAAR1 (0.35) LMNAESR1MEN1ALDH1A1HPGD
SCHEMBL24146436 0.83 TAAR1 (0.38) ESR1KMT2A
SCHEMBL13491995 0.83 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL19409858 0.83 FAAH (0.46) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL5024909 0.82 PTGS1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL28149926 0.82 TRPA1 (0.39) ESR1KMT2A
SCHEMBL20811188 0.80 TAAR1 (0.55)
SCHEMBL1694480 0.79 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3

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

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684346-A Preparation method of selective beta-silicon-based aryl acetic acid compound 扬州大学 2025-03-25 CN disclosed
US-20170285482-A1 ORGANIC PROCESSING LIQUID AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
EP-1173585-B1 EPOXIDE HYDROLASES OF ASPERGILLUS ORIGIN CENTRE NAT RECH SCIENT (FR) 2008-07-02 EP disclosed
WO-2004048394-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-06-10 WO disclosed
EP-0643781-B1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR INC (US) 1998-06-24 EP disclosed
US-5419817-A Osmium tetroxide catalyst; preparing hydroxycarbonyl compounds from enol ether or vinyl halide SEPRACOR INC. (US) 1995-05-30 US disclosed
EP-0643781-A4 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS. 1995-04-26 EP disclosed
EP-0643781-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1995-03-22 EP disclosed
US-5302257-A Preparing optically active glycols using catalyst complex of osmium tetroxide and chiral oxidation resistant tertiary amine, employing secondary oxidant to generate osmium tetroxide, electrolytically regenerating secondary oxidant SEPRACOR, INC. (US) 1994-04-12 US disclosed
WO-1993017150-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1993-09-02 WO disclosed