SCHEMBL8896829

SCHEMBL8896829

CC(CCc1ccccc1)C[C@H](OC(=O)Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
PPARA Q07869 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 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
SCHEMBL5186555 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL8897285 0.78 PPARG (0.45) PPARGPPARASMN1; SMN2MEN1HTT
SCHEMBL8896159 0.78 ACE (0.45) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL8898654 0.78 ACE (0.45) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL8897280 0.78 PPARG (0.45) PPARGPPARASMN1; SMN2MEN1HTT
SCHEMBL27620542 0.77 TSHR (0.56) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL21978418 0.75 SRR (0.62) PPARGPPARA
SCHEMBL8897470 0.75 CTSL (0.43) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL8897474 0.75 PPARG (0.36) PPARGPPARASMN1; SMN2MEN1HTT
SCHEMBL5186550 0.75 ALDH1A1 (0.50) SMN1; SMN2MEN1HTTKMT2AHPGD

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-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed