SCHEMBL7861965

SCHEMBL7861965

C=CC(CC)c1ccc(C#C[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
P2RY14 Q15391 1/20 0.34
TEAD1 P28347 3/20 0.31
HSD11B1 P28845 1/20 0.31
FFAR1 O14842 1/20 0.30
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30

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
SCHEMBL7858857 0.87 GPR139 (0.34) KDM1ARCOR1
SCHEMBL7858962 0.86 DRD2 (0.36) FFAR1
SCHEMBL7851965 0.86 FFAR1 (0.36) FFAR1
SCHEMBL7851849 0.86 GRIA1 (0.37) HSD11B1FFAR1
SCHEMBL7857862 0.84 IDO1 (0.31)
SCHEMBL7858854 0.84 ACACB (0.39)
SCHEMBL9498441 0.79 HTR2C (0.42) HTR2CP2RY14HSD11B1FFAR1KDM1A
SCHEMBL9498453 0.79 HTR2C (0.42) HTR2CP2RY14HSD11B1FFAR1KDM1A
SCHEMBL7858813 0.79 FFAR1 (0.32) FFAR1
SCHEMBL6142258 0.78 FFAR1 (0.34) TEAD1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed