SCHEMBL4966958

SCHEMBL4966958

CC(C)(C)[C@H](COC(F)F)C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
MASP2 O00187 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CTSL P07711 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4971087 0.87 MMP13 (0.43) ALDH1A1LMNAOPRM1
SCHEMBL3831699 0.85 KMT2A (0.49) ALDH1A1LMNARAB9A
SCHEMBL12799323 0.81 CTSL (0.60) CTSL
SCHEMBL2857336 0.81 CA12 (0.56) EPHX2MASP2APEX1OPRM1OPRL1
SCHEMBL2857323 0.79 CA12 (0.45) MASP2APEX1RXFP1CTSL
SCHEMBL12898777 0.77 MASP2 (0.53) EPHX2MASP2ALDH1A1LMNAAPEX1
SCHEMBL4966953 0.77 EPHX2 (0.44) EPHX2APEX1POLBOPRM1OPRL1
SCHEMBL12884455 0.76 MASP2 (0.52) EPHX2MASP2ALDH1A1LMNAAPEX1
SCHEMBL4969822 0.76 CTSS (0.39) ALDH1A1LMNAOPRM1
SCHEMBL13575664 0.75 CTSL (0.47) CTSL

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-1963277-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2008-09-03 EP claimed
WO-2007076306-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2007-07-05 WO claimed