SCHEMBL29324365

SCHEMBL29324365

CCC1CC=C(c2ccc(CC3CCCC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.36
ALOX5AP P20292 2/20 0.32
ESR2 Q92731 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CEL P19835 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
SCHEMBL29324373 0.90 FEN1 (0.34) FEN1ALOX5APESR2
SCHEMBL29324387 0.88 CYP1A2 (0.36) FEN1ALOX5AP
SCHEMBL29324422 0.88 CEL (0.33) ESR2TRPV1CEL
SCHEMBL29324680 0.87 FEN1 (0.33) FEN1ALOX5AP
SCHEMBL9406310 0.86 ESR2 (0.39) ESR2TRPV1
SCHEMBL29324696 0.80 FEN1 (0.32) FEN1
SCHEMBL29324418 0.79 CCNT1 (0.32) FEN1ALOX5AP
SCHEMBL29324712 0.79 CYP1A2 (0.35) FEN1
SCHEMBL9419292 0.79 ESR2 (0.40) ESR2
SCHEMBL29324358 0.78 NPY1R (0.34) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed