SCHEMBL10930643

SCHEMBL10930643

CCCCC1CC=C(c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR2 Q92731 1/20 0.43
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PTPN11 Q06124 1/20 0.39
TLR4 O00206 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10930750 0.99 RARB (0.46) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10928793 0.96 RARB (0.49) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10930497 0.95 RARB (0.50) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10933631 0.95 RARB (0.50) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10928614 0.95 RARB (0.50) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10931237 0.95 RARB (0.47) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10930048 0.94 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10928483 0.94 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10930250 0.94 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10927208 0.92 ESR2 (0.46) RARBMEN1ALDH1A1RARAMAPT

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
US-4505837-A Liquid crystalline phenylcyclohexene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-03-19 US disclosed