SCHEMBL9465798

SCHEMBL9465798

CCCc1cccc(CC(C)OC(C)=O)c1CC(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.36
PPARG P37231 3/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC18A3 Q16572 1/20 0.33
MMP12 P39900 1/20 0.33
PRKCI P41743 1/20 0.33
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32

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
SCHEMBL9465441 0.91 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9816743 0.89 GABRA1 (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9466818 0.80 ADRA2A (0.34) PPARAPPARGLTB4RLTB4R2
SCHEMBL6902916 0.79 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9466329 0.78 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9465943 0.77 KMT2A (0.45) PPARAPPARGMMP12KMT2A
SCHEMBL18342528 0.73 PPARG (0.44) PPARAPPARGTSHRCHRM2CHRM4
SCHEMBL15291975 0.73 PPARG (0.44) PPARAPPARGTSHRCHRM2CHRM4
SCHEMBL29253169 0.73 CTNNB1 (0.51) KMT2A
SCHEMBL31473048 0.72 SLC6A2 (0.39) PPARAPPARGTSHRCHRM2CHRM4

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 2 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