SCHEMBL10497769

SCHEMBL10497769

CCCCCCCCCCCCCCCSc1ccc(C(=O)/C=C/c2cccc(CCCCC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.48
▸ THRB P10828 3/20 0.48
▸ ATG4B Q9Y4P1 12/20 0.47
▸ PLA2G1B P04054 10/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ P4HB P07237 1/20 0.46
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45
▸ TUBB3 Q13509 2/20 0.45
▸ TUBB2A Q13885 2/20 0.45
▸ TUBB8 Q3ZCM7 2/20 0.45
▸ TUBA3E Q6PEY2 2/20 0.45
▸ TUBA1A Q71U36 2/20 0.45
▸ TUBA1C Q9BQE3 2/20 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
SCHEMBL10497793 1.00 THRA (0.48) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498328 0.98 HDAC4 (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498321 0.98 HDAC4 (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498161 0.92 P4HB (0.47) THRATHRBP4HBTUBB4ATUBB
SCHEMBL10498147 0.92 P4HB (0.47) THRATHRBP4HBTUBB4ATUBB
SCHEMBL9342508 0.92 THRA (0.49) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9342514 0.92 THRA (0.49) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9339741 0.91 P4HB (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9339730 0.91 P4HB (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497578 0.89 BCHE (0.47) THRATHRBATG4BPLA2G1BCYP1A2

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
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
Send feedback