SCHEMBL8599770

SCHEMBL8599770

C=CCc1ccc2cc(C#CCCCC(C)F)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
ALOX5 P09917 1/20 0.33
AR P10275 1/20 0.33
PTGS1 P23219 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
XDH P47989 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL7561510 0.91 HRH3 (0.35)
SCHEMBL7556032 0.91 HRH3 (0.33) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL7555062 0.84 NPC1 (0.33)
SCHEMBL7554730 0.84 NPC1 (0.33)
SCHEMBL8604168 0.84 GRM5 (0.30) MAPT
SCHEMBL7559203 0.84 MAPT (0.31) MAPT
SCHEMBL8604574 0.84 ALDH1A1 (0.33) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL7559816 0.84 ALDH1A1 (0.33) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL7558745 0.83 KCNH2 (0.35)
SCHEMBL7558161 0.83 KCNH2 (0.33)

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