SCHEMBL7602715

SCHEMBL7602715

CC(C)c1ccccc1-c1ccc(OC(=O)Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.58
PPARG P37231 5/20 0.58
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
FFAR1 O14842 3/20 0.45
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL7600285 0.97 PPARA (0.57) PPARAPPARGCA12CA1CA2
SCHEMBL7600290 0.89 PPARA (0.59) PPARAPPARGCA12CA1CA2
SCHEMBL2692877 0.86 PPARA (0.56) PPARAPPARGCA12CA1CA2
SCHEMBL7803935 0.83 PPARA (0.41) PPARAPPARGFFAR1CYP1A2CYP2C19
SCHEMBL19470214 0.81 PPARA (0.42) PPARAPPARGCA12CA1CA2
Acetic Acid SCHEMBL9578985 0.78 CA12 (0.54) PPARAPPARGCA12CA1CA2
SCHEMBL7602708 0.78 HPGD (0.51) PPARAPPARGACACBACACA
SCHEMBL21790492 0.77 KMT2A (0.50) PPARGCYP1A2GAACYP2C9PKM
SCHEMBL22003014 0.77 HPGD (0.55) PPARAPPARG
SCHEMBL2035474 0.77 CA12 (0.54) PPARAPPARGCA12CA1CA2

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-6482877-B2 MELT PROCESSABILITY; MIXTURE WITH PHOSPHOROUS ACID, SULFUR COMPOUND AND FATTY ESTER GENERAL ELECTRIC COMPANY 2002-11-19 US disclosed
EP-1156078-A1 Polycarbonate resin composition for optical use GENERAL ELECTRIC COMPANY (US) 2001-11-21 EP disclosed
US-20010041759-A1 Polycarbonate resin composition for optical use SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2001-11-15 US disclosed