SCHEMBL6948896

SCHEMBL6948896

CC(C)OC(=O)C(Cc1ccccc1)NC=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ EPHX1 P07099 1/20 0.50
▸ DAGLA Q9Y4D2 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ATM Q13315 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL1274700 0.86 ATM (0.58) MEN1KMT2ATAAR1EPHX1TSHR
SCHEMBL3499885 0.86 ATM (0.58) MEN1KMT2ATAAR1EPHX1TSHR
SCHEMBL27925079 0.86 ATM (0.58) MEN1KMT2ATAAR1EPHX1TSHR
SCHEMBL6952487 0.84 MEN1 (0.54) MEN1KMT2ATAAR1EPHX1DAGLA
SCHEMBL7882117 0.84 MMP8 (0.55) MEN1KMT2ATAAR1EPHX1DAGLA
SCHEMBL6952367 0.84 MMP8 (0.55) MEN1KMT2ATAAR1EPHX1DAGLA
SCHEMBL25100758 0.83 TSHR (0.51) TAAR1TSHRALDH1A1THRBCYP2C9
SCHEMBL6803690 0.83 TSHR (0.51) TAAR1TSHRALDH1A1THRBCYP2C9
SCHEMBL27556826 0.83 TSHR (0.51) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9440084 0.83 ALDH1A1 (0.49) MEN1KMT2ATAAR1DAGLATSHR

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-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 — — EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 — — US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 — — EP disclosed
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