SCHEMBL6950073

SCHEMBL6950073

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
JMJD6 Q6NYC1 1/20 0.47
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
GPR35 Q9HC97 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ADRB2 P07550 5/20 0.37
ADRB1 P08588 5/20 0.37
ADRB3 P13945 5/20 0.37
GAPDH P04406 1/20 0.37
HSPA1A P0DMV8 1/20 0.37
PTPN7 P35236 1/20 0.37

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
SCHEMBL128776 0.82 CA12 (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL6950385 0.79 LMNA (0.53) ALDH1A1TSHRJMJD6MAPTKDM4E
SCHEMBL6953148 0.78 ALDH1A1 (0.55) ALDH1A1TSHRJMJD6PLA2G1BATG4B
SCHEMBL6952030 0.78 ALDH1A1 (0.59) ALDH1A1TSHRPLA2G1BATG4BNPC1
SCHEMBL6948241 0.77 ESR1 (0.54) TSHRNPC1RAB9AMAPT
SCHEMBL109308 0.76 ALDH1A1 (0.61) ALDH1A1TSHRJMJD6PLA2G1BATG4B
SCHEMBL6954003 0.76 ALDH1A1 (0.49) ALDH1A1TSHRJMJD6PLA2G1BATG4B
SCHEMBL6950001 0.76 CA12 (0.53) ALDH1A1JMJD6NPC1RAB9AHTT
SCHEMBL6580266 0.75 ALDH1A1 (0.59) ALDH1A1TSHRJMJD6PLA2G1BATG4B
SCHEMBL110051 0.75 ALDH1A1 (0.64) ALDH1A1TSHRPLA2G1BATG4BNPC1

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