SCHEMBL11548490

SCHEMBL11548490

CCC(C)(Oc1ccc(Oc2ccc(OC(C)(CC)C(=O)O)cc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.61
PPARA Q07869 12/20 0.57
PPARG P37231 11/20 0.57
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
OPRK1 P41145 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.44
HPGD P15428 1/20 0.44
FABP2 P12104 1/20 0.42
SLC22A12 Q96S37 1/20 0.42

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
SCHEMBL619782 0.89 ADORA3 (0.52) ADORA3PPARAPPARGRAB9ANPC1
SCHEMBL8935672 0.87 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MAPT
SCHEMBL8935669 0.87 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MAPT
SCHEMBL5367947 0.87 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MAPT
SCHEMBL5141872 0.87 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MAPT
SCHEMBL13846158 0.87 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1
SCHEMBL5369095 0.87 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MAPT
SCHEMBL1960387 0.87 PPARG (0.62) ADORA3PPARAPPARGOPRK1MAPT
SCHEMBL11548438 0.86 ADORA3 (0.48) ADORA3PPARAPPARGRAB9ANPC1
SCHEMBL2555820 0.86 ADORA3 (0.58) ADORA3PPARAPPARGRAB9APOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US disclosed