SCHEMBL9509212

SCHEMBL9509212

O=C(O)c1cccc2c1O[C@H]1CCC[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ACMSD Q8TDX5 2/20 0.35
KMO O15229 1/20 0.35
BRD4 O60885 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CDC25B P30305 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NOTUM Q6P988 1/20 0.32
ABCC1 P33527 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL7418984 1.00 CYP2C9 (0.39) CYP2C9ACMSDKMOBRD4ALDH1A1
SCHEMBL7410883 0.77 HSD17B10 (0.36) ACMSDALDH1A1KDM4EMAPTPTGDR2
SCHEMBL7424445 0.77 HSD17B10 (0.36) ACMSDALDH1A1KDM4EMAPTPTGDR2
SCHEMBL7413425 0.77 HSD17B10 (0.36) ACMSDALDH1A1KDM4EMAPTPTGDR2
SCHEMBL10591479 0.73 CYP2C9 (0.41) CYP2C9ACMSDKMOBRD4ALDH1A1
SCHEMBL10590358 0.73 CYP2C9 (0.41) CYP2C9ACMSDKMOBRD4ALDH1A1
SCHEMBL7321198 0.73 CYP2C9 (0.41) CYP2C9ACMSDKMOBRD4ALDH1A1
SCHEMBL10591490 0.73 CYP2C9 (0.41) CYP2C9ACMSDKMOBRD4ALDH1A1
SCHEMBL3634253 0.72 ALDH1A1 (0.50) CYP2C9ACMSDALDH1A1KDM4EALOX15
SCHEMBL7416660 0.71 CDC25B (0.42) CYP2C9BRD4ALDH1A1KDM4ECDC25B

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-0559656-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-09-15 EP claimed
WO-1992009592-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-06-11 WO claimed