SCHEMBL8601714

SCHEMBL8601714

C=CCOc1ccc2cc(-c3ccc(CCCCCC(C)F)cn3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
MAPT P10636 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SRC P12931 2/20 0.39
ABL1 P00519 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 6/20 0.38
STAT3 P40763 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7559142 0.91 RAB9A (0.52) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL7943922 0.90 RAB9A (0.51) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL7553189 0.88 RAB9A (0.42) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL7561445 0.88 SRC (0.40) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL8596925 0.88 RAB9A (0.41) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL7556410 0.87 SRC (0.40) MAPTSRCABL1SMN1; SMN2CA12
SCHEMBL7560108 0.86 RAB9A (0.44) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL7560826 0.85 RAB9A (0.43) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL7555281 0.85 MAPT (0.42) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL8599483 0.85 CA12 (0.40) MAPTSRCABL1SMN1; SMN2CA12

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