SCHEMBL6566252

SCHEMBL6566252

C=CCCc1ccc(C(=O)Oc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
POLB P06746 1/20 0.38
CYP11B1 P15538 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
TMPRSS15 P98073 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
THRB P10828 1/20 0.35
CXCR3 P49682 1/20 0.35
MGLL Q99685 1/20 0.35
GAA P10253 1/20 0.35
SRD5A2 P31213 1/20 0.35
FFAR1 O14842 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
SCHEMBL6567767 0.87 F2 (0.41) F2POLBCYP11B1MAPTTP53
SCHEMBL6567219 0.86 F2 (0.42) F2POLBCYP11B1MAPTTP53
SCHEMBL6567227 0.86 F2 (0.42) F2POLBCYP11B1MAPTTP53
SCHEMBL6567165 0.86 DAO (0.38) POLBTMPRSS15SRD5A2FFAR1FFAR4
SCHEMBL6566180 0.86 MAOB (0.33) MAPTTMPRSS15RAB9ASMN1; SMN2NPC1
SCHEMBL19373015 0.85 F2 (0.47) F2POLBMAPTTP53LMNA
SCHEMBL6569215 0.85 F2 (0.41) F2POLBCYP11B1MAPTTP53
SCHEMBL6569205 0.85 F2 (0.41) F2POLBCYP11B1MAPTTP53
SCHEMBL16922708 0.84 F2 (0.50) F2POLBMAPTTP53LMNA
SCHEMBL8913334 0.82 F2 (0.48) F2POLBMAPTRAB9ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0919536-B1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK & CHEMICALS (JP) 2004-04-07 EP disclosed
US-6693223-B1 STRONG POLAR COMPOUND HAVING LARGE DIELECTRIC ANISOTROPY; EXERTS EXCELLENT THRESHOLD VOLTAGE REDUCING EFFECT; EXCELLENT MISCIBILITY WITH CONVENTIONAL LIQUID CRYSTAL MATERIALS DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-02-17 US disclosed
US-20020053659-A1 Fluorine-substituted-4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-09 US disclosed
US-6287646-B1 MIXTURES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-09-11 US disclosed
EP-0919536-A1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-06-02 EP disclosed