Sugi Predict

Sugi Predict / Compounds / SCHEMBL14192568

SCHEMBL14192568

SCHEMBL14192568

C=CC(=O)c1ccc(C#Cc2ccc(C#Cc3ccc4cc(OCCCCC)ccc4c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 5/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ THRB P10828 4/20 0.47
▸ PLA2G4B P0C869 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RARB P10826 3/20 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
SCHEMBL14192567 0.97 RARB (0.51) THRATP53TSHRTHRBPLA2G4B
SCHEMBL6538549 0.85 TP53 (0.64) THRATP53TSHRTHRBPLA2G4B
SCHEMBL28657555 0.84 TP53 (0.67) THRATP53TSHRTHRBPLA2G4B
SCHEMBL9743992 0.83 NR5A1 (0.50) THRATP53TSHRPLA2G4B
SCHEMBL9742052 0.83 NR5A1 (0.50) THRATP53TSHRPLA2G4B
SCHEMBL9742485 0.83 NR5A1 (0.50) THRATP53TSHRPLA2G4B
SCHEMBL14192516 0.83 RARB (0.53) THRATP53TSHRTHRBPLA2G4B
SCHEMBL9743091 0.82 NR5A1 (0.53) THRATP53TSHRPLA2G4B
SCHEMBL9742442 0.82 NR5A1 (0.53) THRATP53TSHRPLA2G4B
SCHEMBL9743638 0.82 NR5A1 (0.53) THRATP53TSHRPLA2G4B

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-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 — — US disclosed