SCHEMBL9766071

SCHEMBL9766071

Cn1c(=O)cc(CC(=O)O)c2c(F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
CXCL8 P10145 2/20 0.38
PTGS2 P35354 4/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
BRD4 O60885 1/20 0.38
PTGS1 P23219 2/20 0.38
ABCB11 O95342 1/20 0.38
PPARG P37231 1/20 0.38
NR1I3 Q14994 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
CHRM1 P11229 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL9157244 0.77 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1775541 0.73 ATM (0.46) KDM4EALDH1A1HSD17B10HPGDTHRB
SCHEMBL8367148 0.73 AKR1C3 (0.49) KDM4EALDH1A1HSD17B10HPGDTHRB
SCHEMBL28977348 0.73 CXCL8 (0.39) CXCL8PTGS2PTGS1ABCB11PPARG
SCHEMBL9157813 0.71 HPGD (0.48) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1800554 0.70 TRPA1 (0.51)
SCHEMBL8578245 0.69 AKR1C3 (0.48) KDM4EALDH1A1CXCL8PTGS2THRB
SCHEMBL9766045 0.69 MEN1 (0.51) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL9766040 0.69 GRIN2D (0.47) KDM4EALDH1A1CXCL8GAATHRB
SCHEMBL17929744 0.69 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTPOLBCHRM1

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-4983607-A ANTISEROTONINERGIC ACTIVITY SYNTHELABO (FR) 1991-01-08 US disclosed