SCHEMBL10690700

SCHEMBL10690700

CC(CC1CO1)NC(=O)NC(C)CC1CO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FOLH1 Q04609 3/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 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
SCHEMBL22121257 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL15947892 0.70
SCHEMBL8846758 0.70
SCHEMBL29236044 0.70
SCHEMBL28035936 0.70
SCHEMBL27547385 0.69 ALDH1A1 (0.39) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL10704385 0.68 CPA1 (0.36) CTSKALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL10704379 0.68 CPA1 (0.36) CTSKALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL10704375 0.68 CPA1 (0.36) CTSKALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL8125240 0.68

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-4728742-A NON-CONJUGATED POLYENES CIBA-GEIGY CORPORATION (US) 1988-03-01 US disclosed