SCHEMBL6238367

SCHEMBL6238367

O=C(O)Cc1ccc(Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.63
CYP1A2 P05177 1/20 0.56
AKR1B1 P15121 2/20 0.55
PTGS1 P23219 2/20 0.53
ABCC4 O15439 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
TBXA2R P21731 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGFR P43088 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
PTGDR Q13258 1/20 0.50
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49

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
2-Naphthylacetic Acid SCHEMBL238445 0.89 NR1H4 (0.71) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL30493868 0.89 NR1H4 (0.71) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL28641469 0.89 NR1H4 (0.71) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL29366514 0.89 NR1H4 (0.71) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL10453180 0.87 NR1H4 (0.69) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL11045683 0.87 NR1H4 (0.69) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL11437704 0.87 NR1H4 (0.69) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL7861322 0.85 NR1H4 (0.67) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL29180271 0.85 NR1H4 (0.67) NR1H4CYP1A2AKR1B1PTGS1ABCC4
2-Naphthylacetic Acid SCHEMBL11102091 0.85 NR1H4 (0.67) NR1H4CYP1A2AKR1B1PTGS1ABCC4

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
WO-2005010202-A2 PHENYL ACETIC ACID DERIVATIVES AS HEPATOCYTE NUCLEAR FACTOR 4α (HNF-4α) MODULATOR COMPOUNDS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005010202-A2 PHENYL ACETIC ACID DERIVATIVES AS HEPATOCYTE NUCLEAR FACTOR 4α (HNF-4α) MODULATOR COMPOUNDS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed