SCHEMBL13680811

SCHEMBL13680811

O=CCCc1cccc(-c2ccc(C(=O)O)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ACMSD Q8TDX5 2/20 0.42
P4HTM Q9NXG6 5/20 0.42
MAP4K4 O95819 1/20 0.40
BCL2 P10415 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL13680806 0.85 CYP4F2 (0.50) HIF1ACYP4F2CYP4A11
SCHEMBL31215931 0.81 BCL2 (0.61) HIF1ACYP4F2CYP4A11P4HTMBCL2
SCHEMBL13680797 0.80 CYP11B2 (0.38) HIF1ACYP4F2CYP4A11
SCHEMBL13680808 0.80 EPHX2 (0.38) HIF1ACYP4F2CYP4A11TSHR
SCHEMBL13681324 0.79 BCL2 (0.63) ACMSDBCL2GPR52
SCHEMBL418611 0.76 GPR52 (0.50) ACMSDBCL2GPR52
SCHEMBL13680809 0.76 GRIN1 (0.41)
SCHEMBL13680810 0.76 HSD17B1 (0.53) MEN1CYP1A2CYP3A4KMT2AHSD17B1
SCHEMBL2558804 0.76 TRIM24 (0.60) CYP4F2CYP4A11P4HTMMAP4K4KDM4E
SCHEMBL13680805 0.75 EPHX2 (0.55) MEN1ALDH1A1CYP1A2CYP3A4GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed