SCHEMBL7577367

SCHEMBL7577367

COc1cc(OC)c2n[c]sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 4/20 0.34
F2RL3 Q96RI0 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 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
SCHEMBL11697332 0.82 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4
SCHEMBL7574867 0.75 ALDH1A1 (0.38) LMNACA12CA1CA2CA7
SCHEMBL7585003 0.72 KMT2A (0.35) LMNACA12CA1CA2CA7
SCHEMBL559438 0.71 ALDH1A1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL7579260 0.71 PARP15 (0.38) CA12CA1CA2CA7CA9
SCHEMBL533470 0.69 CYP1A2 (0.49) LMNAALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL7575561 0.68 NQO2 (0.39) LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL558324 0.68 ALDH1A1 (0.36) LMNAALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL19782620 0.68 F2RL3 (0.45) CA12CA1CA2CA7CA9
SCHEMBL11342209 0.68 F2RL3 (0.45) CA12CA1CA2CA7CA9

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