SCHEMBL7350118

SCHEMBL7350118

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1c(F)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.61
ALOX15 P16050 1/20 0.54
CYP2C9 P11712 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 3/20 0.48
TBXA2R P21731 3/20 0.48
ADRA1A P35348 3/20 0.48
SLC6A3 Q01959 3/20 0.48
ABCB11 O95342 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
GAA P10253 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 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
SCHEMBL7344814 0.86 HSD17B10 (0.57) HSD17B10CYP2C9KDM4EMEN1KMT2A
SCHEMBL7348263 0.86 HSD17B10 (0.66) HSD17B10CYP2C9KDM4EMEN1KMT2A
SCHEMBL7342557 0.86 HSD17B10 (0.66) HSD17B10CYP2C9KDM4EMEN1KMT2A
SCHEMBL9673018 0.85 CYP2C9 (0.68) HSD17B10CYP2C9KDM4EMEN1KMT2A
SCHEMBL7341271 0.84 ALOX15 (0.54) HSD17B10ALOX15CYP2C9KDM4EMEN1
SCHEMBL7352182 0.81 HSD17B10 (0.63) HSD17B10CYP2C9MEN1KMT2AADORA3
SCHEMBL7350786 0.81 HSD17B10 (0.63) HSD17B10CYP2C9MEN1KMT2AADORA3
SCHEMBL7346372 0.81 HSD17B10 (0.62) HSD17B10CYP2C9KDM4EMEN1KMT2A
SCHEMBL7342224 0.79 HSD17B10 (0.65) HSD17B10CYP2C9MEN1KMT2AADRA1A
SCHEMBL9673483 0.79 HSD17B10 (0.63) HSD17B10CYP2C9KDM4EMEN1KMT2A

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
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed