SCHEMBL9692984

SCHEMBL9692984

CCCCCCCOCCCOCCCCNc1cc(C(=S)NCCCSC)ccc1CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.38
HPGD P15428 1/20 0.35
HCAR3 P49019 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MLYCD O95822 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MGLL Q99685 3/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL9503117 1.00 ACAT1 (0.38) ACAT1HPGDHCAR3MAPTGAA
SCHEMBL9505639 0.95 HPGD (0.34) ACAT1HPGDHCAR3MAPTGAA
SCHEMBL9503202 0.94 KMT2A (0.36) ACAT1HPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL9692603 0.89 ACAT1 (0.36) ACAT1HPGDHCAR3MAPTGAA
SCHEMBL9502309 0.88 ACAT1 (0.37) ACAT1HPGDHCAR3MAPTGAA
SCHEMBL9506112 0.87 ACAT1 (0.39) ACAT1HPGDMAPTGAACNR1
SCHEMBL9503970 0.85 MAPT (0.35) ACAT1MAPTPOLB
SCHEMBL9502277 0.83 MAPT (0.35) MAPTGAAPOLBMGLL
SCHEMBL9361713 0.80 ACAT1 (0.59) ACAT1MAPTSMN1; SMN2LMNA
SCHEMBL9505690 0.79 L3MBTL1 (0.41) ACAT1HPGDMAPTGAASMN1; 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
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed