SCHEMBL9682966

SCHEMBL9682966

CS(=O)(=O)c1ccc(C=Cc2ccc(NCCCO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.46
TGM2 P21980 1/20 0.41
ESR2 Q92731 3/20 0.41
MAOB P27338 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9810745 0.94 FLT3 (0.44) FLT3TGM2ESR2MAOBFAAH
SCHEMBL9810744 0.94 FLT3 (0.44) FLT3TGM2ESR2MAOBFAAH
SCHEMBL9551578 0.94 FLT3 (0.44) FLT3TGM2ESR2MAOBFAAH
SCHEMBL8212136 0.81 GHSR (0.47) TGM2ESR2PTGS2
SCHEMBL9318844 0.77 ALDH1A1 (0.43) ESR2ALDH1A1
SCHEMBL9551562 0.77 TGM2 (0.43) FLT3TGM2MAOBFAAHMGLL
SCHEMBL9746549 0.76 ESR2 (0.47) FLT3ESR2PTGS2
SCHEMBL5923863 0.76 PTGS2 (0.52) PTGS2
SCHEMBL9650774 0.75 ESR2 (0.46) FLT3ESR2PTGS2
SCHEMBL9810753 0.75 TGM2 (0.41) FLT3TGM2MAOBFAAHMGLL

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
EP-0464904-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1992-01-08 EP disclosed
US-5029979-A Optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1991-07-09 US disclosed