SCHEMBL2590802

SCHEMBL2590802

CCC(c1ccccc1)c1cc(C(CC)c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.36
KDM4E B2RXH2 4/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL574153 0.89 NPC1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL709631 0.81 NPC1 (0.41) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL29438587 0.81 NPC1 (0.41) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL11616637 0.80 NPC1 (0.43) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL10788413 0.78 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL9269913 0.78 NPC1 (0.42) NPC1RAB9ALMNAKDM4EPOLB
SCHEMBL11622645 0.76 NPC1 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL29377081 0.75 POLB (0.50) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL3782539 0.75 POLB (0.50) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL16540651 0.75 CYP3A4 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19

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-2563827-A1 CHLORINE-RESISTANT CROSSLINKABLE POLYOLEFIN COMPOSITIONS AND ARTICLES MADE THEREFROM Momentive Performance Materials Inc. (US) 2013-03-06 EP disclosed
WO-2011139635-A1 CHLORINE-RESISTANT CROSSLINKABLE POLYOLEFIN COMPOSITIONS AND ARTICLES MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-11-10 WO disclosed