SCHEMBL9685947

SCHEMBL9685947

CC(NC(=O)CCN)OCCS

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.35
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
DNM1 Q05193 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL9508389 0.90 KMT2A (0.35) TLR2ITGB3ITGA2BDNM1SMN1; SMN2
SCHEMBL9509956 0.86 CTSC (0.33)
SCHEMBL9122690 0.75 DPP4 (0.41)
SCHEMBL9649630 0.75 KMT2A (0.36) SMN1; SMN2MEN1FAAHMAPK1KMT2A
SCHEMBL28599001 0.74 HDAC3 (0.41) DNM1MEN1FAAHMAPK1KMT2A
SCHEMBL28598553 0.71 FAAH (0.47) ITGB3ITGA2BDNM1MEN1FAAH
SCHEMBL29239631 0.71
SCHEMBL3205737 0.71
SCHEMBL10650213 0.70 ALDH1A1 (0.50) SMN1; SMN2FAAHKMT2A
SCHEMBL434917 0.70 ALDH1A1 (0.50) SMN1; SMN2FAAHKMT2A

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-5085860-A Odorless L'OREAL (FR) 1992-02-04 US claimed