SCHEMBL8424013

SCHEMBL8424013

CCC=CCC[C]1C=CCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL62114 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL62115 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL62474 0.78 MGLL (0.43)
SCHEMBL62475 0.78 MGLL (0.43)
SCHEMBL1524546 0.78
SCHEMBL60992 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL60817 0.73
SCHEMBL1525180 0.73 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL5404230 0.72 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL9202960 0.72 ALDH1A1 (0.39) ALDH1A1CYP3A4

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
EP-0949927-A2 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed
WO-1998008517-A2 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed