SCHEMBL10673104

SCHEMBL10673104

CCOC(=O)c1cc(NCC(=O)N2CCCCC2)c2cc(OC)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ MAPT P10636 4/20 0.54
▸ TDP1 Q9NUW8 2/20 0.50
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ PTGS2 P35354 1/20 0.46
▸ P2RY12 Q9H244 1/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KDM4E B2RXH2 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL2658663 0.73 CTSL (0.62) ALDH1A1MAPTTDP1CTSLCTSB
SCHEMBL2652933 0.73 CTSL (0.61) ALDH1A1MAPTTDP1CTSLCTSB
SCHEMBL18346800 0.73 GAA (0.59) ALDH1A1MAPTTDP1PTGS2RAB9A
SCHEMBL10682221 0.72 MAPT (0.63) ALDH1A1MAPTTDP1RAB9AKDM4E
SCHEMBL22718898 0.69 ALDH1A1 (0.54) ALDH1A1TDP1RAB9AKDM4EHPGD
SCHEMBL13234529 0.68 KCNH2 (0.51) ALDH1A1MAPTTDP1CTSLCTSB
SCHEMBL28434347 0.67 KDM4E (0.65) ALDH1A1MAPTCTSLCTSBRAB9A
SCHEMBL22718924 0.67 ALDH1A1 (0.52) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL3336367 0.67 ALDH1A1 (0.54) ALDH1A1MAPTCTSLCTSBRAB9A
SCHEMBL21101295 0.66 PREP (0.68) ALDH1A1MAPTRAB9AKDM4ELMNA

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-4788188-A ANTICONVULSANTS, SEDATIVES, ANXIOLYTIC AGENTS SANOFI (S.A.) (FR) 1988-11-29 — — US disclosed
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