SCHEMBL9778804

SCHEMBL9778804

Clc1ccc(COc2ccc(C3SCCCS3)cc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.52
S1PR1 P21453 1/20 0.48
LTK P29376 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
S1PR5 Q9H228 1/20 0.48
FFAR1 O14842 7/20 0.47
PPARG P37231 1/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
UBE2N P61088 1/20 0.45
HPGD P15428 1/20 0.45
PTPN1 P18031 2/20 0.44
LMNA P02545 1/20 0.44
NR4A1 P22736 1/20 0.43

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
SCHEMBL9778858 0.94 NR4A2 (0.55) NR4A2S1PR1LTKTAOK1S1PR5
SCHEMBL9778795 0.83 NR4A2 (0.50) NR4A2KMT2AALDH1A1MEN1MAPT
SCHEMBL9778594 0.82 MAOB (0.51) NR4A2ALDH1A1MAPT
SCHEMBL9778874 0.80 MAOB (0.56) S1PR1S1PR5
SCHEMBL9778855 0.80 MAOB (0.49) ALDH1A1MAPTLMNA
SCHEMBL9778680 0.79 MAOB (0.51) NR4A2S1PR5KMT2AMEN1MAPT
SCHEMBL9778648 0.78 MAOB (0.57) S1PR1S1PR5
SCHEMBL9778526 0.78 SMN1; SMN2 (0.49) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL9778730 0.77 NR4A2 (0.52) NR4A2KMT2AALDH1A1MEN1MAPT
SCHEMBL9778569 0.76 MAPT (0.45) KMT2AALDH1A1MEN1MAPTSMN1; SMN2

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed