SCHEMBL9669574

SCHEMBL9669574

CCCOc1cc[n+]([O-])c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MEN1 O00255 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP2C9 P11712 1/20 0.35
GPR84 Q9NQS5 2/20 0.34
ELANE P08246 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
SCHEMBL6839168 0.83 CYP1A2 (0.39) KMT2AMEN1CYP2C9GPR84KDM4E
SCHEMBL6838825 0.83 CYP1A2 (0.39) MAPTGPR84KDM4E
SCHEMBL1999459 0.75 BCL2 (0.41) MAPTKMT2ACA12CA1CA2
SCHEMBL9129790 0.75 PARP15 (0.41) MAOAMAOB
SCHEMBL10200201 0.75 ALOX5 (0.53) KMT2AMEN1MAOAMAOBPTGS1
SCHEMBL27812638 0.73 CA12 (0.47) MAPTKMT2ACA12CA1CA2
SCHEMBL8896873 0.71 KMT2A (0.35) MAPTKMT2ACA12CA1CA2
SCHEMBL8502109 0.71 PDE4A (0.32)
SCHEMBL7239633 0.70 BRD4 (0.39) KMT2AMEN1KDM4EL3MBTL1
SCHEMBL15772419 0.69 CA12 (0.56) MAPTKMT2ACA12CA1CA2

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-0175464-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1992-03-18 EP disclosed
US-4727150-A ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-23 US disclosed
EP-0175464-A1 Benzimidazole derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1986-03-26 EP disclosed