SCHEMBL10497826

SCHEMBL10497826

CCCCCCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2ccccc2OCCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 5/20 0.43
▸ THRB P10828 5/20 0.43
▸ ATG4B Q9Y4P1 11/20 0.42
▸ PLA2G1B P04054 9/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41

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
SCHEMBL10497748 0.98 THRA (0.43) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9337765 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338443 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9339727 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9342044 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338690 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338184 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338152 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9341391 0.93 LMNA (0.41) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9341570 0.93 LMNA (0.41) 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
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