SCHEMBL4040112

SCHEMBL4040112

C#CC(=O)C(C)Cc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.56
▸ SLC6A4 P31645 1/20 0.50
▸ ACACB O00763 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ FPR2 P25090 1/20 0.43
▸ F2RL1 P55085 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL27795435 0.81 LDHA (0.65) LDHASLC6A4ACACBALDH1A1PPARG
SCHEMBL4043564 0.80 MAOA (0.47) ALDH1A1PPARACYP2D6CYP2C19HTT
SCHEMBL4039591 0.80 SLC6A2 (0.47) SLC6A4ACACBPPARGPPARAFPR2
SCHEMBL23051836 0.80 LDHA (0.62) LDHASLC6A4ACACBALDH1A1PPARG
SCHEMBL663059 0.80 LDHA (0.73) LDHASLC6A4ACACBPPARGPPARA
SCHEMBL3832306 0.80 LDHA (0.62) LDHASLC6A4ACACBALDH1A1PPARG
SCHEMBL8283100 0.80 LDHA (0.73) LDHASLC6A4ACACBPPARGPPARA
SCHEMBL10823754 0.78 LDHA (0.61) LDHASLC6A4ACACBALDH1A1PPARG
SCHEMBL933857 0.78 LDHA (0.61) LDHASLC6A4ACACBALDH1A1PPARG
SCHEMBL13623718 0.78 LDHA (0.61) LDHASLC6A4ACACBALDH1A1HTT

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-2038279-A2 SUBSTITUTED PYRAZOLO [1,5- ALPHA] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE Avigen, Inc. (US) 2009-03-25 — — EP disclosed
WO-2007146087-A2 SUBSTITUTED PYRAZOLO [1,5-α] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2007-12-21 — — WO disclosed
Send feedback