SCHEMBL8046394

SCHEMBL8046394

C=CCOc1cnc(-c2ccc(/C=C/CCCC(C)O)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
FLT3 P36888 1/20 0.31
MAPT P10636 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30
SNCA P37840 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL8046398 1.00 NPC1 (0.37) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8049505 0.99 NPC1 (0.36) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8049507 0.99 NPC1 (0.36) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8046533 0.97 CYP2D6 (0.34) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8046542 0.97 CYP2D6 (0.34) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8051452 0.93 NPC1 (0.40) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8051459 0.93 NPC1 (0.40) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8047812 0.93 NPC1 (0.40) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8047809 0.93 NPC1 (0.40) NPC1TP53RAB9ACYP2D6KDM4E
SCHEMBL8046302 0.92 CYP2D6 (0.39) NPC1TP53RAB9ACYP2D6KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed