SCHEMBL27388643

SCHEMBL27388643

CC(CNc1ccccc1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.50
APAF1 O14727 1/20 0.50
KDM4E B2RXH2 1/20 0.45
AGTR1 P30556 1/20 0.45
RAB9A P51151 1/20 0.45
PPARG P37231 10/20 0.45
AKR1C3 P42330 1/20 0.43
ELANE P08246 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
SCHEMBL14746862 0.83 ALDH1A1 (0.54) KMT2AALDH1A1KDM4EAGTR1RAB9A
SCHEMBL14982070 0.79 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EAGTR1RAB9A
SCHEMBL13232107 0.79 ALDH1A1 (0.62) KMT2AALDH1A1KDM4EPPARG
SCHEMBL1532856 0.79 KMT2A (0.58) KMT2AALDH1A1KDM4EAGTR1RAB9A
SCHEMBL11265463 0.79 ALDH1A1 (0.57) KMT2AALDH1A1KDM4EAGTR1RAB9A
SCHEMBL11275701 0.78 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EAGTR1RAB9A
SCHEMBL8585150 0.76 KMT2A (0.59) KMT2AALDH1A1KDM4EAGTR1RAB9A
SCHEMBL10864406 0.76 KMT2A (0.55) KMT2AALDH1A1PPARGAKR1C3
SCHEMBL2588918 0.76 KMT2A (0.55) KMT2AALDH1A1PPARGAKR1C3
SCHEMBL698881 0.76 AGTR1 (0.60) KMT2AALDH1A1KDM4EAGTR1RAB9A

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
CN-1093124-C Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 2002-10-23 CN disclosed
CN-1218460-A Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 1999-06-02 CN disclosed