SCHEMBL8570793

SCHEMBL8570793

CCCCCCCC=Cc1cnc(-c2ccc(CCCCCC(C)F)c(F)c2F)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.32
MMP2 P08253 2/20 0.30
F7 P08709 2/20 0.30
F3 P13726 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ECE1 P42892 1/20 0.30
SGMS1 Q86VZ5 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
MUS81 Q96NY9 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SAE1 Q9UBE0 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
SCHEMBL8665603 1.00 TNNC1 (0.32) TNNC1MMP2F7F3KDM4E
SCHEMBL7513499 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL7513493 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL7517362 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL7517367 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL7517315 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL7511687 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL7517323 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL7511677 0.92 TNNC1 (0.36) TNNC1MMP2F7F3KDM4E
SCHEMBL8571300 0.91 TNNC1 (0.33) TNNC1MMP2F7F3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed