SCHEMBL6954003

SCHEMBL6954003

CC(C)COC(=O)c1[c]cc(C(=O)OCC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
ADRB2 P07550 6/20 0.39
ADRB1 P08588 6/20 0.39
ADRB3 P13945 6/20 0.39
GAPDH P04406 1/20 0.38
HSPA1A P0DMV8 1/20 0.38
PTPN7 P35236 1/20 0.38
SLC1A5 Q15758 1/20 0.38

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
SCHEMBL3021302 0.81 CA1 (0.55) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL110051 0.80 ALDH1A1 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL6953920 0.79 ALDH1A1 (0.57) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL27667934 0.79 ALDH1A1 (0.62) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL27668055 0.79 ALDH1A1 (0.62) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL27668352 0.79 ALDH1A1 (0.62) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL6950073 0.76 ALDH1A1 (0.47) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL6946559 0.76 ESR1 (0.59) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL6952030 0.75 ALDH1A1 (0.59) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL6952994 0.75 CA12 (0.55) ALDH1A1TSHRMAPTNPC1RAB9A

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