SCHEMBL6497502

SCHEMBL6497502

COc1ccc(CC(OC(C)C)C(=O)O)cc1CBr

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
ALOX15 P16050 2/20 0.46
PKM P14618 1/20 0.46
MMP1 P03956 8/20 0.45
PPARA Q07869 9/20 0.43
PPARD Q03181 8/20 0.43
PPARG P37231 4/20 0.42
ALOX12 P18054 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
SCHEMBL6651536 0.88 LDHA (0.49) LDHAALOX15PKMMMP1PPARA
SCHEMBL6506184 0.86 ALOX15 (0.46) LDHAALOX15PKMPPARAPPARD
SCHEMBL6505581 0.84 LDHA (0.45) LDHAALOX15PKMMMP1PPARA
SCHEMBL7686808 0.81 PPARA (0.44) LDHAALOX15PKMMMP1PPARA
SCHEMBL6497495 0.81 PPARA (0.42) LDHAMMP1PPARAPPARDPPARG
SCHEMBL6495642 0.80 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL6507864 0.80 MMP1 (0.45) LDHAMMP1PPARAPPARDPPARG
SCHEMBL6494660 0.80 LDHA (0.41) LDHAMMP1PPARAPPARDPPARG
SCHEMBL6497980 0.79 PPARA (0.54) MMP1PPARAPPARDPPARG
SCHEMBL6496306 0.79 ADRB2 (0.45) LDHAMMP1PPARAPPARDPPARG

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