SCHEMBL11045229

SCHEMBL11045229

O=CCCC=Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
PLCG1 P19174 1/20 0.34
CYP2D6 P10635 2/20 0.34
MAPT P10636 2/20 0.34
CYP1B1 Q16678 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL31634333 1.00 GRIK1 (0.41) GRIK1GRIK2CYP2C19KDM4EALDH1A1
SCHEMBL6064334 0.83 GRIK1 (0.37) GRIK1GRIK2CYP2C19KDM4EALDH1A1
SCHEMBL97508 0.83 GRIK1 (0.44) GRIK1GRIK2CYP2C19KDM4EALDH1A1
SCHEMBL7631405 0.80 CYP2C19 (0.42) GRIK1GRIK2CYP2C19KDM4EALDH1A1
SCHEMBL7631408 0.80 CYP2C19 (0.42) GRIK1GRIK2CYP2C19KDM4EALDH1A1
SCHEMBL2093235 0.80 GRIK1 (0.45) GRIK1GRIK2CYP2C19KDM4EALDH1A1
SCHEMBL2093236 0.80 GRIK1 (0.45) GRIK1GRIK2CYP2C19KDM4EALDH1A1
SCHEMBL2090497 0.79 HSD17B10 (0.48) GRIK1GRIK2ALDH1A1MAPTCYP1A2
SCHEMBL2761142 0.79 KDM4E (0.52) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL31634323 0.79 CYP2A6 (0.48) GRIK1GRIK2ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192218-A Ring-opening hydroformylation reaction of benzylidene cyclopropane with formic acid as carbonyl source 常州大学 2025-06-24 CN disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed