SCHEMBL8376557

SCHEMBL8376557

CCCCCCCc1ccc(C(CCCCCC)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
RARA P10276 1/20 0.70
MAPT P10636 1/20 0.70
MTOR P42345 1/20 0.70
KMT2A Q03164 1/20 0.70
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
ATG4B Q9Y4P1 7/20 0.54
PLA2G1B P04054 6/20 0.54
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL8378009 1.00 RARB (0.70) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8380764 0.94 RARB (0.61) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11590735 0.91 TP53 (0.56) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2231026 0.91 TP53 (0.56) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL959756 0.89 RARB (0.53) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL18979307 0.87 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1164529 0.87 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL270423 0.87 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL970162 0.87 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL503648 0.87 RARB (0.90) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed