SCHEMBL5615547

SCHEMBL5615547

C=C(C)C(=O)OCC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CCCCC)c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4664523 0.80 MEN1 (0.30) NPC1RAB9A
SCHEMBL4667550 0.80 NPC1 (0.32) NPC1RAB9AALDH1A1
SCHEMBL769081 0.80 NPC1 (0.38) NPC1RAB9AALDH1A1
SCHEMBL673359 0.80 CNR1 (0.40) NPC1RAB9A
SCHEMBL4664043 0.79 XPO1 (0.33)
SCHEMBL4664025 0.79 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22289027 0.79 CNR1 (0.42) NPC1RAB9A
SCHEMBL226073 0.79 TSHR (0.35) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL345788 0.76 NPC1 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL224924 0.76 CNR1 (0.38) NPC1RAB9A

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
WO-2007050394-A2 POLYMERIC RADIATION-ABSORBING MATERIALS AND OPHTHALMIC DEVICES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2007-05-03 WO disclosed
US-20070092830-A1 Polymeric radiation-absorbing materials and ophthalmic devices comprising same BAUSCH & LOMB INCORPORATED 2007-04-26 US disclosed