SCHEMBL8897280

SCHEMBL8897280

CC[C@H](C)CNC(=O)O[C@@H](CC(C)CCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
PPARA Q07869 7/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8897285 1.00 PPARG (0.45) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL8898668 0.79 CTSL (0.41) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL8896829 0.78 PPARG (0.48) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL8895944 0.78 CTSL (0.45) MEN1KMT2ASMN1; SMN2TSHRCYP2C9
SCHEMBL8610377 0.78 FOLH1 (0.49) ALDH1A1CYP2C19
SCHEMBL8896352 0.78 FOLH1 (0.49) ALDH1A1CYP2C19
SCHEMBL8610371 0.78 FOLH1 (0.49) ALDH1A1CYP2C19
SCHEMBL8896358 0.78 FOLH1 (0.49) ALDH1A1CYP2C19
SCHEMBL8895311 0.77 CTSL (0.46) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL8896571 0.77 CTSL (0.46) PPARGPPARAMEN1KMT2ASMN1; SMN2

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