SCHEMBL11537007

SCHEMBL11537007

CC(COc1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN4A P35499 2/20 0.41
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
P2RX3 P56373 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
SCHEMBL1305299 0.91 PPARA (0.58) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL28619870 0.91 PPARA (0.58) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL21895800 0.91 PPARA (0.58) PPARGPPARAMEN1KMT2AALDH1A1
Water SCHEMBL11798405 0.89 PPARA (0.56) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL11539963 0.88 SMN1; SMN2 (0.47) PPARGPPARASMN1; SMN2LMNAHPGD
SCHEMBL11536518 0.86 PPARA (0.54) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL11476340 0.84 PPARG (0.51) PPARGPPARASMN1; SMN2LMNAMEN1
SCHEMBL4753580 0.84 HPGD (0.54) PPARGPPARASMN1; SMN2LMNAHPGD
SCHEMBL11541636 0.82 BACE1 (0.44) PPARGPPARASMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL10967781 0.82 HPGD (0.53) PPARGPPARASMN1; SMN2LMNAHPGD

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-4156011-A TREATMENT OF CARDIOVASCULAR DISORDERS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1979-05-22 US disclosed