SCHEMBL29324418

SCHEMBL29324418

CCC1CC=C(c2ccc(OCC3CCCC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.32
CDK9 P50750 5/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
BRD4 O60885 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.31
C5AR1 P21730 1/20 0.31
COL1A1 P02452 1/20 0.31

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
SCHEMBL29324431 0.91 PTGDR2 (0.31) CCNT1CDK9ALOX5APFEN1PTGDR2
SCHEMBL26156694 0.89 CCNT1 (0.34) CCNT1CDK9
SCHEMBL29324745 0.88
SCHEMBL29324453 0.88 CYP1A2 (0.30)
SCHEMBL26802163 0.87 SLC6A4 (0.34) ALOX5APFEN1PTGDR2BRD4SLC6A4
SCHEMBL15381643 0.86 CCNT1 (0.32) CCNT1CDK9PTGDR2
SCHEMBL29324358 0.84 NPY1R (0.34) CCNT1CDK9
SCHEMBL26805173 0.84 MCHR1 (0.33) ALOX5APFEN1SLC6A4HTR6
SCHEMBL9406310 0.83 ESR2 (0.39) CCNT1CDK9SLC6A4
SCHEMBL12836802 0.82 CCNT1 (0.35) CCNT1CDK9

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