SCHEMBL7140622

SCHEMBL7140622

CCCCCc1ccc(C(=O)N(C)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.55
THRB P10828 8/20 0.55
RARB P10826 5/20 0.54
TRPV1 Q8NER1 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RARA P10276 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53

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
SCHEMBL9504858 0.98 THRA (0.57) THRATHRBRARBTRPV1MEN1
SCHEMBL8115787 0.89 ESR1 (0.54) THRATHRBTRPV1KMT2AALDH1A1
SCHEMBL9504749 0.82 THRA (0.59) THRATHRBRARBTRPV1MEN1
SCHEMBL8429380 0.82 MLYCD (0.53) MEN1KMT2AALDH1A1MAPTMTOR
SCHEMBL9504685 0.81 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9508248 0.81 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504649 0.81 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9508189 0.81 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504768 0.81 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504888 0.81 THRA (0.61) THRATHRBRARBMEN1KMT2A

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-6509367-B1 Pyrazole cannabinoid agonist and antagonists VIRGINIA COMMONWEALTH UNIVERSITY 2003-01-21 US disclosed