SCHEMBL11548438

SCHEMBL11548438

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
PPARA Q07869 9/20 0.48
PPARG P37231 8/20 0.48
ELANE P08246 2/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
FABP2 P12104 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 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
SCHEMBL5531801 0.88 ADORA3 (0.47) ADORA3PPARAPPARGELANEMAPT
SCHEMBL82055 0.88 PPARG (0.53) ADORA3PPARAPPARGELANEMAPT
SCHEMBL8935937 0.88 PPARG (0.53) ADORA3PPARAPPARGELANEMAPT
SCHEMBL2560059 0.87 L3MBTL1 (0.50) ADORA3PPARAPPARGELANEMAPT
SCHEMBL16753083 0.87 ADORA3 (0.46) ADORA3PPARAPPARGELANEMAPT
SCHEMBL3102154 0.87 PPARA (0.64) ADORA3PPARAPPARGMAPTMEN1
SCHEMBL4852302 0.87 PPARA (0.49) ADORA3PPARAPPARGELANEMAPT
SCHEMBL11548490 0.86 ADORA3 (0.61) ADORA3PPARAPPARGELANEMAPT
SCHEMBL2557598 0.84 ADORA3 (0.44) ADORA3PPARAPPARGELANEMAPT
SCHEMBL10594998 0.83 ADORA3 (0.43) ADORA3PPARAPPARGELANEMAPT

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