SCHEMBL9689459

SCHEMBL9689459

O=CCCCC1=CC(=O)CCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL9688152 0.89 ALDH1A1 (0.35) ALDH1A1MAPTPOLB
SCHEMBL4869101 0.77 MAPT (0.35) ALDH1A1MAPTPOLB
SCHEMBL3505646 0.76 GPR84 (0.40) HIF1A
SCHEMBL9690293 0.76 DAO (0.37) ALDH1A1MAPTPOLB
SCHEMBL3387307 0.74 ALOX5 (0.36) ALDH1A1MAPTPOLB
SCHEMBL3387146 0.74 ALOX5 (0.36) ALDH1A1MAPTPOLB
SCHEMBL3388547 0.74 ALOX5 (0.36) ALDH1A1MAPTPOLB
SCHEMBL3388090 0.74 ALOX5 (0.36) ALDH1A1MAPTPOLB
SCHEMBL3387143 0.74 ALOX5 (0.36) ALDH1A1MAPTPOLB
SCHEMBL6282240 0.74 GPR84 (0.42) HIF1A

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-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed