SCHEMBL4339988

SCHEMBL4339988

CCOc1ccc(C[C@H](OC(C)C)C(=O)O)cc1I

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.44
NR1I2 O75469 1/20 0.44
AGTR2 P50052 1/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARA Q07869 11/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARD Q03181 7/20 0.40
FFAR1 O14842 1/20 0.40
LDHA P00338 1/20 0.40
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6654618 0.88 KDM4E (0.39) PPARGNR1I2AGTR2MEN1BLM
SCHEMBL6654616 0.88 KDM4E (0.39) PPARGNR1I2AGTR2MEN1BLM
SCHEMBL4328026 0.84 CYP2D6 (0.47) PPARGPPARACYP2D6CYP2C19PPARD
SCHEMBL4347157 0.78 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL13810553 0.74 PPARG (0.45) PPARGMEN1KMT2APPARACYP2D6
SCHEMBL4474935 0.74 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL4338102 0.73 NPC1 (0.48) CYP2D6CYP2C19ALOX15KDM4E
SCHEMBL4336608 0.73 PPARG (0.42) PPARGMEN1KMT2APPARAPPARD
SCHEMBL4336526 0.73 PPARG (0.45) PPARGMEN1KMT2APPARACYP2C19
SCHEMBL4339997 0.73 FFAR1 (0.42) PPARGKMT2AFFAR1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed