SCHEMBL7556629

SCHEMBL7556629

C=CCc1ccc(-c2ccc(-c3ccc(CCCCCC(C)F)cc3)nn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.36
NPC1 O15118 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 3/20 0.36
ATM Q13315 2/20 0.36
STAT3 P40763 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 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
SCHEMBL8601900 0.91 MCHR1 (0.38) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL8603393 0.89 TSHR (0.38) SMN1; SMN2MAPTALDH1A1TP53CYP3A4
SCHEMBL7560812 0.89 TSHR (0.38) SMN1; SMN2MAPTALDH1A1TP53CYP3A4
SCHEMBL7559458 0.89 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL8597872 0.89 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL7556534 0.88 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL7559531 0.88 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL7558886 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL7555580 0.88 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL7561558 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708165-B1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2002-01-09 EP disclosed
US-6246452-B1 FERROELECTRIC CHIRAL SMECTIC LIQUID CRYSTAL MIXTURE HAVING IMPROVED RESPONSE SPEED WHICH CAN BE USED AS AN OPTICAL SHUTTER OR DISPLAY DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-12 US disclosed
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-0708165-A1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-24 EP 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