SCHEMBL8601900

SCHEMBL8601900

C=CCc1ccc(-c2ccc(CCCCCC(C)F)nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.38
HTR2A P28223 12/20 0.38
CHRM1 P11229 9/20 0.38
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 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
SCHEMBL7556629 0.91 RAB9A (0.36) SMN1; SMN2NPC1MAPTSTAT3RAB9A
SCHEMBL8670671 0.83
SCHEMBL7559458 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1MAPTSTAT3RAB9A
SCHEMBL8600400 0.83 MCHR1 (0.38) MCHR1HTR2ACHRM1SMN1; SMN2NPC1
SCHEMBL7558363 0.82 RAB9A (0.36) SMN1; SMN2NPC1MAPTSTAT3RAB9A
SCHEMBL7555580 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1MAPTSTAT3RAB9A
SCHEMBL7556499 0.82 MCHR1 (0.32) MCHR1SMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL7558386 0.81 RAB9A (0.35) SMN1; SMN2NPC1MAPTSTAT3RAB9A
SCHEMBL7560812 0.81 TSHR (0.38) SMN1; SMN2MAPTALDH1A1TP53CYP3A4
SCHEMBL8603393 0.81 TSHR (0.38) SMN1; SMN2MAPTALDH1A1TP53CYP3A4

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