SCHEMBL9489367

SCHEMBL9489367

CCCCCCCc1ccc(C(=O)OCC(OC(=O)c2ccc(CCCCCCC)cc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2A P28223 1/20 0.47
ATG4B Q9Y4P1 9/20 0.45
PLA2G1B P04054 7/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RECQL P46063 1/20 0.45
HAO1 Q9UJM8 1/20 0.45

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
SCHEMBL9489031 1.00 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9489407 1.00 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9489400 1.00 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9488833 0.99 RARB (0.47) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9489091 0.95 TRPV1 (0.47) RARBALDH1A1KMT2ATHRATHRB
SCHEMBL9488730 0.94 MAPT (0.45) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9489140 0.92 MAPT (0.46) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9155610 0.91 ITGB3 (0.42) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9155603 0.91 ITGB3 (0.42) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9490214 0.90 ALDH1A1 (0.44) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168043-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1990-11-07 EP claimed
US-5236618-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-17 US disclosed
EP-0168043-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1990-11-07 EP disclosed
US-4744918-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-05-17 US disclosed
EP-0168043-A2 Liquid crystal phase MERCK PATENT GmbH (DE) 1986-01-15 EP disclosed