SCHEMBL7754396

SCHEMBL7754396

CCCOC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ESR1 P03372 9/20 0.51
ALDH1A1 P00352 3/20 0.51
CHRM1 P11229 1/20 0.51
TSHR P16473 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL10790364 0.87 ESR1 (0.63) LMNAESR1ALDH1A1TSHRRAB9A
SCHEMBL5665632 0.85 CA12 (0.58) LMNAESR1TSHRTDP1CA12
SCHEMBL12756270 0.82 LMNA (0.67) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL21672265 0.82 ALDH1A1 (0.66) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL16418625 0.81 CA12 (0.58) LMNAESR1TDP1KDM4ECA12
SCHEMBL7944807 0.80 CA12 (0.49) ESR1ALDH1A1CHRM1TSHRSLC6A2
SCHEMBL18775817 0.80 SERPINE1 (0.39) ESR1TDP1CA12CA1CA2
SCHEMBL10787434 0.79 ESR1 (0.53) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL11236926 0.78 LMNA (0.49) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL39034 0.77 CA12 (0.74) LMNAESR1ALDH1A1CHRM1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020237334-A1 ANTIPROTOZOAL PEPTIDES DERIVED FROM SCORPION VENOM, NUCLEIC ACID MOLECULE ENCODING SAME, COMPOSITION COMPRISING SAME, AND USES THEREOF FUNDAÇÃO UNIVERSIDADE FEDERAL DO ABC - UFABC (BR) 2020-12-03 WO disclosed
WO-2018174826-A1 BUILDING BLOCKS FOR STAPLED PEPTIDES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-09-27 WO disclosed
EP-3060236-A1 POLYNUCLEOTIDE, POLYPEPTIDE WITH IMMUNOSUPPRESIVE ACTIVITY, EXPRESSION CASSETTE, EXPRESSION VECTOR, HOST CELL, PHARMACEUTICAL COMPOSITION, METHODS FOR PRODUCING A POLYPETIDE WITH IMMUNOSUPPRESIVE ACTIVITY AND FOR PREVENTING OR TREATING CONDITIONS THAT REQUIRE IMMUNOSUPPRESION AND USE OF A POLYPEPTIDE Fundação Butantan (BR) 2016-08-31 EP disclosed
WO-2015058275-A1 POLYNUCLEOTIDE, POLYPEPTIDE WITH IMMUNOSUPPRESIVE ACTIVITY, EXPRESSION CASSETTE, EXPRESSION VECTOR, HOST CELL, PHARMACEUTICAL COMPOSITION, METHODS FOR PRODUCING A POLYPETIDE WITH IMMUNOSUPPRESIVE ACTIVITY AND FOR PREVENTING OR TREATING CONDITIONS THAT REQUIRE IMMUNOSUPPRESION AND USE OF A POLYPEPTIDE CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) 2015-04-30 WO disclosed
WO-2001051505-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACID FLUORIDES AND PROCESS FOR THE PREPARATION THEREOF HYUNDAI PHARMACEUTICAL IND. CO., LTD. (KR) 2001-07-19 WO disclosed