SCHEMBL3672876

SCHEMBL3672876

CCCCc1c(N)ccc(S)c1CCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.44
NOS2 P35228 2/20 0.37
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA2 P00918 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3670348 1.00 SKP2 (0.44) SKP2NOS2NPC1HPGDMAPK1
SCHEMBL3678230 0.96 SKP2 (0.47) SKP2NOS2NPC1HPGDMAPK1
SCHEMBL3669925 0.92 NOS2 (0.37) SKP2NOS2HPGDHTT
SCHEMBL3668718 0.89 SKP2 (0.44) SKP2NOS2NPC1HPGDMAPK1
SCHEMBL3671141 0.85 NOS2 (0.35) SKP2NOS2
SCHEMBL1498868 0.84 SKP2 (0.57) SKP2NOS2NPC1HPGDMAPK1
SCHEMBL27372846 0.82 SKP2 (0.47) SKP2NOS2HPGDRAB9ACA2
Hydrochloric Acid SCHEMBL6657545 0.82 SKP2 (0.55) SKP2NOS2NPC1HPGDMAPK1
SCHEMBL3675442 0.81 NOS2 (0.39) SKP2NOS2RAB9A
SCHEMBL458150 0.79 NOS2 (0.45) SKP2NOS2NPC1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed