SCHEMBL11558268

SCHEMBL11558268

COc1cc(CN2Cc3ccsc3CC2C(=O)O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ CA9 Q16790 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL11428707 0.87 CA9 (0.41) POLBCA9CA2MEN1KMT2A
SCHEMBL11557147 0.81 ACE (0.53) ACE
SCHEMBL11433556 0.78 MAPT (0.44) POLBMEN1KMT2A
SCHEMBL11562455 0.72 MMP9 (0.45) ACEHTTCYP3A4
SCHEMBL11559591 0.71 CYP1A2 (0.51) ACEPOLBMEN1KMT2ADRD2
SCHEMBL11427641 0.70 ACE (0.42) ACEALDH1A1
SCHEMBL8801153 0.70 MAPK1 (0.65) CA9CA2MEN1KMT2ADRD1
Hydrochloric Acid SCHEMBL11560085 0.70 ACE (0.41) ACE
SCHEMBL11558918 0.70 ACE (0.57) ACEKMT2ADRD2DRD1
Hydrochloric Acid SCHEMBL9782181 0.69 POLB (0.49) POLBMEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 — — US disclosed
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