SCHEMBL7910977

SCHEMBL7910977

Cc1ccc(C2CCC(CC[C@H]3CC[C@H]([C@H]4CC[C@H](CF)CC4)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.42
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 6/20 0.38
CYP3A4 P08684 2/20 0.38
SLC18A3 Q16572 1/20 0.35
CYP2D6 P10635 1/20 0.34
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL7910979 1.00 ESR2 (0.42) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7910978 1.00 ESR2 (0.42) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7910974 1.00 ESR2 (0.42) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14959891 0.90 ESR2 (0.44) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14959893 0.90 ESR2 (0.44) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7902528 0.86 ESR2 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7902529 0.86 ESR2 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7902532 0.86 ESR2 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7902530 0.86 ESR2 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7911062 0.85 ESR2 (0.39) ESR2CYP2C9ALDH1A1LMNAMAPT

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-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed