SCHEMBL9036331

SCHEMBL9036331

C[CH]n1cccc1COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
IDH1 O75874 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CNR2 P34972 1/20 0.31
ELANE P08246 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC18A3 Q16572 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
SCHEMBL8773424 0.77 ALDH1A1 (0.48) ALDH1A1IDH1CYP1A2CYP2C19CYP3A4
SCHEMBL9036339 0.75 ALDH1A1 (0.46) ALDH1A1IDH1CYP1A2CYP2C19CYP3A4
SCHEMBL5255523 0.64 ALDH1A1 (0.65) ALDH1A1IDH1CYP1A2CYP2C19CYP3A4
SCHEMBL132773 0.63 ALDH1A1 (0.78) ALDH1A1IDH1CYP3A4HSD17B10KDM4E
SCHEMBL27386804 0.62 CNR2 (0.40) ALDH1A1HSD17B10CNR2SMN1; SMN2SLC18A3
E1501 SCHEMBL43745 0.62 ALDH1A1 (1.00) ALDH1A1IDH1CYP3A4SMN1; SMN2KMT2A
E1501 SCHEMBL14031569 0.62 ALDH1A1 (1.00) ALDH1A1IDH1CYP3A4SMN1; SMN2KMT2A
E1501 SCHEMBL901210 0.62 ALDH1A1 (1.00) ALDH1A1IDH1CYP3A4SMN1; SMN2KMT2A
E1501 SCHEMBL28201296 0.62 ALDH1A1 (1.00) ALDH1A1IDH1CYP3A4SMN1; SMN2KMT2A
SCHEMBL23283979 0.62 KMT2A (0.47) ALDH1A1IDH1CYP1A2CYP2C19CYP3A4

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
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed