SCHEMBL7434216

SCHEMBL7434216

CCCn1c(=O)cc(C(=O)O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 6/20 0.64
GAA P10253 3/20 0.64
HSD17B10 Q99714 2/20 0.64
HPGD P15428 2/20 0.58
HTR3E A5X5Y0 7/20 0.58
HTR3B O95264 7/20 0.58
HTR3A P46098 7/20 0.58
HTR3D Q70Z44 7/20 0.58
HTR3C Q8WXA8 7/20 0.58
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PGR P06401 1/20 0.49
CNR2 P34972 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL7438285 0.92 ALDH1A1 (0.68) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL7437593 0.90 ALDH1A1 (0.63) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL7435320 0.89 ALDH1A1 (0.61) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL7436539 0.88 ALDH1A1 (0.67) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL7437043 0.85 HTR3E (0.61) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL7437828 0.81 KDM4E (0.62) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL7429056 0.81 ALDH1A1 (0.82) KDM4EALDH1A1GAAHSD17B10HTR3E
SCHEMBL7462175 0.80 ALDH1A1 (0.83) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2921888 0.80 KDM4E (0.59) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL28973475 0.78 KDM4E (0.68) KDM4EALDH1A1GAAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458636-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed
US-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed