SCHEMBL20286019

SCHEMBL20286019

C=CC(=O)OCCc1cc(-c2ccc(CCc3ccc(CCCCC)cc3)cc2CC)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.46
RARB P10826 9/20 0.42
THRA P10827 7/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL20286014 0.99 THRB (0.46) THRBRARBTHRAMEN1KMT2A
SCHEMBL20285996 0.97 THRB (0.42) THRBRARBTHRAMEN1KMT2A
SCHEMBL20286015 0.93 THRB (0.43) THRBRARBHPGDTSHRMCL1
SCHEMBL20286016 0.92 THRB (0.36) THRBRARBHPGDTSHR
SCHEMBL20286004 0.91 FFAR4 (0.38) THRBRARBHPGDTSHR
SCHEMBL19796833 0.88 THRB (0.48) THRBRARBTHRAMEN1KMT2A
SCHEMBL19796837 0.85 RARB (0.48) THRBRARBTHRAMEN1KMT2A
SCHEMBL19796934 0.85 THRB (0.45) THRBRARBTHRAMEN1KMT2A
SCHEMBL19796719 0.84 THRB (0.46) THRBRARBTHRAMEN1KMT2A
SCHEMBL19796726 0.83 THRB (0.46) THRBRARBTHRAMEN1KMT2A

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-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed