SCHEMBL8601601

SCHEMBL8601601

C=CCc1ccc(-c2ccc(/C=C/CCCC(C)F)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.32
TNNC1 P63316 1/20 0.32
ALOX5 P09917 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
SCHEMBL7554308 1.00 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL8601603 1.00 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL7554314 1.00 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL7555429 0.90 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL7555426 0.90 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL7554415 0.90
SCHEMBL7555084 0.90
SCHEMBL7554420 0.90
SCHEMBL7555087 0.90
SCHEMBL7557685 0.89 PTGS2 (0.35) ALDH1A1PTGS2ALOX5

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