SCHEMBL9465441

SCHEMBL9465441

CC(=O)OC(C)Cc1cccc(CC(C)OC(C)=O)c1CC(C)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP12 P39900 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
SCHEMBL9816743 0.95 GABRA1 (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9465798 0.91 PPARA (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6902916 0.87 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9466329 0.86 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9465943 0.85 KMT2A (0.45) MMP12KCNH2
SCHEMBL15291975 0.81 PPARG (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18342528 0.81 PPARG (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29253169 0.80 CTNNB1 (0.51) ALDH1A1
SCHEMBL6096504 0.79 PPARG (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31473048 0.79 SLC6A2 (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R

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
US-5248746-A Cationic polymerization, molecular weight control NIPPON ZEON CO., LTD. (JP) 1993-09-28 US disclosed
EP-0451679-A2 Method of producing polymers NIPPON ZEON CO., LTD. (JP) 1991-10-16 EP disclosed
EP-0397081-A2 Process for preparation of polymer NIPPON ZEON CO., LTD. (JP) 1990-11-14 EP disclosed