SCHEMBL9728915

SCHEMBL9728915

CCCCCCCC(SC(CCCCCCC)C1CC(=O)c2ccccc2C1=O)C1CC(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.40
SOAT1 P35610 9/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
MITF O75030 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20376450 0.73 S100A4 (0.40) S100A4LMNA
SCHEMBL20201784 0.73 S100A4 (0.40) S100A4LMNA
SCHEMBL20207026 0.71 S100A4 (0.53) S100A4MEN1KMT2ALMNAPOLB
SCHEMBL20201781 0.70 HDAC4 (0.42) S100A4
SCHEMBL10440488 0.68 S100A4 (0.50) S100A4MEN1KMT2ALMNAPOLB
Anthraquinone SCHEMBL27605254 0.66 PTPN1 (0.61) S100A4SOAT1PTPN1NPC1GAA
SCHEMBL16377312 0.66 S100A4 (0.55) S100A4MEN1KMT2ALMNAPOLB
SCHEMBL22521864 0.65 S100A4 (0.50) S100A4LMNA
SCHEMBL27314465 0.65 MEN1 (0.50) NPC1GAARAB9AMEN1KMT2A
SCHEMBL15844488 0.65 PTPN1 (0.44) PTPN1NPC1GAARAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155106-A Reduced side effects TERUMO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0400144-A1 CYSTEAMINE DERIVATIVES AND ANTI-RHEUMATIC AGENT CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-05 EP disclosed