SCHEMBL6507013

SCHEMBL6507013

CCOC(=O)C(CC)CCCc1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.49
PPARG P37231 9/20 0.49
PPARD Q03181 4/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LPAR1 Q92633 1/20 0.41

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
SCHEMBL6380133 0.85 PPARA (0.55) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL6496654 0.84 PPARA (0.47) PPARAPPARGMRGPRX4LMNASMN1; SMN2
SCHEMBL6779971 0.82 LMNA (0.56) LMNASMN1; SMN2
SCHEMBL14398158 0.79 PPARA (0.69) PPARAPPARGMRGPRX4SMN1; SMN2
SCHEMBL6494445 0.77 CYP4F2 (0.54) PPARAPPARGMRGPRX4LMNASMN1; SMN2
SCHEMBL11731466 0.77 PPARA (0.79) PPARAPPARG
SCHEMBL31006902 0.76 PPARA (0.57) PPARAPPARGMRGPRX4LPAR1
SCHEMBL20522235 0.76 PPARA (0.57) PPARAPPARGMRGPRX4LPAR1
SCHEMBL6496640 0.76 LDHA (0.48) PPARAPPARGPPARDMRGPRX4PSEN1
SCHEMBL20522149 0.76 PPARG (0.60) PPARAPPARGMRGPRX4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed