SCHEMBL6026916

SCHEMBL6026916

Cc1cc(C)c(-c2ccccc2)c(C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.43
FABP3 P05413 2/20 0.43
PPARG P37231 2/20 0.43
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
TSHR P16473 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 4/20 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
SCHEMBL18493974 0.92 CYP3A4 (0.42) FABP4FABP3PPARGPRNPRXFP1
SCHEMBL18493977 0.86 HPGD (0.39) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL7541648 0.86 ALDH1A1 (0.40) FABP4FABP3PPARGPRNPRXFP1
SCHEMBL29089099 0.86 ALDH1A1 (0.43) PPARGNR2E3NCOR2ALDH1A1HPGD
SCHEMBL29380553 0.86 ALDH1A1 (0.43) PPARGNR2E3NCOR2ALDH1A1HPGD
SCHEMBL4419668 0.86 MAPT (0.49) ALDH1A1HPGDLMNAMAPTKDM4E
SCHEMBL28660408 0.85 TTR (0.46) PDE10AALDH1A1HPGDMAPTKDM4E
SCHEMBL29059655 0.84 ALDH1A1 (0.39) FABP4FABP3PPARGPRNPRXFP1
SCHEMBL9815280 0.84 CYP3A4 (0.48) FABP4FABP3ALDH1A1HPGDMAPT
SCHEMBL27476638 0.83 ALDH1A1 (0.38) FABP4FABP3PPARGNR2E3NCOR2

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
EP-1697339-A1 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
WO-2005063729-A1 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-14 WO disclosed