SCHEMBL7967042

SCHEMBL7967042

Cc1ccc(-c2ccc(C3(c4ccccc4)OC(=O)C(O)=C3O)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
NQO2 P16083 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TYMS P04818 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL7971836 0.86 APP (0.49) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL7965678 0.82 HSD17B1 (0.37) PGRHSD17B1HSD17B2LMNAMAPT
SCHEMBL7971994 0.82 PGR (0.37) PGRHSD17B1HSD17B2NQO2ESR1
SCHEMBL6026268 0.81 CFTR (0.39) MEN1KMT2AESR1ESR2LMNA
SCHEMBL6932601 0.80 CFTR (0.43) MEN1KMT2AESR1ESR2LMNA
SCHEMBL6026158 0.78 CFTR (0.50) MEN1KMT2AESR1ESR2LMNA
SCHEMBL6026391 0.76 MCL1 (0.42) MEN1KMT2AESR1ESR2LMNA
SCHEMBL6027636 0.75 ALDH1A1 (0.36) NQO2MEN1KMT2AESR1ESR2
SCHEMBL7956413 0.75 CFTR (0.39) MEN1KMT2AESR1ESR2LMNA
SCHEMBL7966642 0.75 CYP1A2 (0.41) MEN1KMT2AESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed