SCHEMBL7574867

SCHEMBL7574867

CCOc1cc(OCC)c2n[c]sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TP53 P04637 5/20 0.38
HSD17B10 Q99714 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.36
MAPT P10636 6/20 0.36
PSMB8 P28062 1/20 0.36
MEN1 O00255 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35
HBB P68871 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 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
SCHEMBL7585003 0.84 KMT2A (0.35) ALDH1A1TP53KMT2AKDM4EMAPT
SCHEMBL11698158 0.83 MAPT (0.37) ALDH1A1TP53HSD17B10KMT2ACYP3A4
SCHEMBL5367246 0.83 MAPT (0.35) ALDH1A1TP53HSD17B10KMT2ACYP3A4
SCHEMBL227271 0.75 KMT2A (0.53) ALDH1A1TP53HSD17B10KMT2ACYP3A4
SCHEMBL557732 0.75 ALDH1A1 (0.53) ALDH1A1TP53HSD17B10KMT2AKDM4E
SCHEMBL7577367 0.75 LMNA (0.37) ALDH1A1CYP3A4MAPK1LMNACA12
SCHEMBL482247 0.72 ALDH1A1 (0.45) ALDH1A1TP53HSD17B10KMT2ACYP3A4
SCHEMBL11459515 0.70 ALDH1A1 (0.43) ALDH1A1TP53HSD17B10KMT2ACYP3A4
SCHEMBL11697332 0.65 ALDH1A1 (0.34) ALDH1A1CYP3A4MAPTRXFP1CYP1A2
SCHEMBL6630377 0.64 NQO1 (0.48) ALDH1A1TP53HSD17B10KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed