SCHEMBL4667550

SCHEMBL4667550

C=C(C)C(=O)OCC(C)(c1ccccc1)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 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 0.90 MEN1 (0.30) NPC1RAB9A
SCHEMBL4664043 0.89 XPO1 (0.33)
SCHEMBL4664520 0.83 GRIN2D (0.34) NPC1RAB9A
SCHEMBL4665973 0.82 XPO1 (0.33)
SCHEMBL4667574 0.81 NPC1 (0.31) NPC1RAB9A
SCHEMBL768704 0.81 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL29358618 0.81 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL5615547 0.80 NPC1 (0.30) NPC1RAB9AALDH1A1
SCHEMBL7901461 0.80 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL769152 0.78 NPC1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1949144-A2 RADIATION-ABSORBING POLYMERIC MATERIALS AND OPHTHALMIC DEVICES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2008-07-30 EP claimed
WO-2007050395-A2 RADIATION-ABSORBING POLYMERIC MATERIALS AND OPHTHALMIC DEVICES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2007-05-03 WO claimed
US-20070092831-A1 Radiation-absorbing polymeric materials and ophthalmic devices comprising same BAUSCH & LOMB INCORPORATED 2007-04-26 US claimed
EP-1949144-A2 RADIATION-ABSORBING POLYMERIC MATERIALS AND OPHTHALMIC DEVICES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2008-07-30 EP disclosed
WO-2007050395-A2 RADIATION-ABSORBING POLYMERIC MATERIALS AND OPHTHALMIC DEVICES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2007-05-03 WO disclosed
US-20070092831-A1 Radiation-absorbing polymeric materials and ophthalmic devices comprising same BAUSCH & LOMB INCORPORATED 2007-04-26 US disclosed
US-20070092830-A1 Polymeric radiation-absorbing materials and ophthalmic devices comprising same BAUSCH & LOMB INCORPORATED 2007-04-26 US disclosed