SCHEMBL11435461

SCHEMBL11435461

CCCCCCCCCCCCCc1ccc(C(=O)CC)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.75
THRB P10828 12/20 0.75
HAO1 Q9UJM8 1/20 0.69
RARB P10826 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 1/20 0.65
RARA P10276 1/20 0.65
MAPT P10636 1/20 0.65
MTOR P42345 1/20 0.65

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
SCHEMBL13267849 1.00 THRA (0.75) THRATHRBHAO1RARBMEN1
SCHEMBL11427685 1.00 THRA (0.75) THRATHRBHAO1RARBMEN1
SCHEMBL8903148 1.00 THRA (0.75) THRATHRBHAO1RARBMEN1
SCHEMBL10883866 1.00 THRA (0.75) THRATHRBHAO1RARBMEN1
SCHEMBL7137148 0.98 THRA (0.72) THRATHRBHAO1RARBMEN1
SCHEMBL11664249 0.93 RARB (0.73) THRATHRBHAO1RARBMEN1
SCHEMBL10031544 0.92 THRA (0.64) THRATHRBHAO1RARBMEN1
SCHEMBL1577439 0.89 HAO1 (0.79) THRATHRBHAO1RARBMEN1
SCHEMBL9449695 0.88 THRA (0.60) THRATHRBHAO1RARBMEN1
SCHEMBL11440891 0.87 THRA (0.79) THRATHRBHAO1RARB

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-4192895-A SUBSTITUTED BENZALDEHYDES AND PHENYL ALKYL KETONES RICHARDSON-MERRELL INC. (US) 1980-03-11 US disclosed
US-4122191-A SUBSTITUTED BENZALDEHYDES OR PHENYL ALKYL KETONES RICHARDSON-MERRELL INC. (US) 1978-10-24 US disclosed