SCHEMBL1726709

SCHEMBL1726709

CC1(C(=O)Nc2ccc(F)c([Ti](C3=CC=CC3)(C3=CC=CC3)c3c(F)ccc(NC(=O)C4(C)CCCCC4)c3F)c2F)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.44
P2RX7 Q99572 1/20 0.34
NPC1 O15118 1/20 0.32
ADORA1 P30542 1/20 0.32
EPHX2 P34913 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL599286 0.89 CETP (0.47) CETPSMN1; SMN2
SCHEMBL483069 0.81 HDAC1 (0.39) NPC1EPHX2SMN1; SMN2
SCHEMBL482761 0.81 CETP (0.41) CETP
SCHEMBL482571 0.79 KMT2A (0.43) CETPEPHX2SMN1; SMN2
SCHEMBL483079 0.78 HTT (0.47) NPC1EPHX2
SCHEMBL483118 0.78 KDM4E (0.35) CETPNPC1EPHX2
SCHEMBL483279 0.78 ALPL (0.38) EPHX2SMN1; SMN2
SCHEMBL269422 0.78 PDK1 (0.34) NPC1EPHX2
SCHEMBL483181 0.78 NPC1 (0.40) CETPNPC1EPHX2
SCHEMBL6662487 0.77 CA1 (0.30) NPC1

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
EP-1744212-B1 Photosensitive composition FUJIFILM CORP (JP) 2012-01-11 EP disclosed