SCHEMBL8580845

SCHEMBL8580845

CC(C(=O)Cl)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
PLK1 P53350 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SSTR4 P31391 2/20 0.39
KIF11 P52732 1/20 0.38
GAA P10253 2/20 0.38
MMP3 P08254 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL28055040 0.84 ACP3 (0.43) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL4592424 0.83 KDM4E (0.53) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL10708482 0.79 KDM4E (0.49) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL27347246 0.76 KMT2A (0.49) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL7287554 0.76 KDM4E (0.53) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL18243399 0.76 SIGMAR1 (0.39) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL4678773 0.76 KDM4E (0.53) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL27694538 0.76 ALDH1A1 (0.39) ACP3KDM4EALDH1A1HSD17B10MEN1
SCHEMBL31602274 0.74 KMT2A (0.50) ACP3KDM4EALDH1A1HSD17B10NR4A1
SCHEMBL668729 0.74 KDM4E (0.51) ACP3KDM4EALDH1A1HSD17B10NR4A1

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-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 US disclosed
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 WO disclosed