SCHEMBL8235349

SCHEMBL8235349

C=CCOc1ccc2cc(-c3ccc(C=CCCCC(C)OCCCCC)nc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.38
ABL1 P00519 2/20 0.38
LTB4R Q15722 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CASR P41180 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL8235344 1.00 SRC (0.38) SRCABL1LTB4RCA12CA1
SCHEMBL8050905 0.93 CYP3A4 (0.35) CYP19A1
SCHEMBL8051184 0.93 CYP3A4 (0.35) CYP19A1
SCHEMBL8051190 0.93 CYP3A4 (0.35) CYP19A1
SCHEMBL8050901 0.93 CYP3A4 (0.35) CYP19A1
SCHEMBL8046468 0.91 CA12 (0.35) SRCABL1LTB4RCA12CA1
SCHEMBL8046463 0.91 CA12 (0.35) SRCABL1LTB4RCA12CA1
SCHEMBL8036637 0.88 CNR2 (0.38) LTB4R
SCHEMBL8036644 0.88 CNR2 (0.38) LTB4R
SCHEMBL8036792 0.88 S1PR1 (0.33) SRCABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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