SCHEMBL8045939

SCHEMBL8045939

C=CCc1cnc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
KDM4E B2RXH2 4/20 0.35
RARB P10826 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 2/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TNNC1 P63316 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL8045943 1.00 RAB9A (0.35) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8047691 0.99 RAB9A (0.36) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8047685 0.99 RAB9A (0.36) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8046764 0.94 CNR2 (0.37) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8036474 0.94 CNR2 (0.37) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8046769 0.94 CNR2 (0.37) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8036471 0.94 CNR2 (0.37) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8036777 0.92 RAB9A (0.37) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8036773 0.92 RAB9A (0.37) RAB9ANPC1KDM4ERARBSMN1; SMN2
SCHEMBL8051578 0.90 RARB (0.34) RAB9ANPC1KDM4ERARBSMN1; SMN2

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