SCHEMBL21362339

SCHEMBL21362339

CC[C@@H](C(=O)O)N(C)CCNOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.36
HRAS P01112 1/20 0.36
MAOB P27338 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL19853411 0.75 TAAR1 (0.48) NPC1RAB9AALDH1A1HRAS
SCHEMBL7140937 0.74 NPC1 (0.49) NPC1RAB9AALDH1A1HPGD
SCHEMBL13244660 0.71 ABCB1 (0.51) FOLH1ALDH1A1CTSLCTSBCTSS
SCHEMBL30278712 0.71 ABCB1 (0.51) FOLH1ALDH1A1CTSLCTSBCTSS
SCHEMBL27368867 0.70 SLC1A1 (0.50) FOLH1CTSK
SCHEMBL16898610 0.70 HRAS (0.42) NPC1RAB9AALDH1A1HRASHPGD
SCHEMBL1240611 0.69 HRAS (0.46) NPC1RAB9AALDH1A1HRAS
SCHEMBL9157683 0.69 ALDH1A1 (0.52) NPC1RAB9AALDH1A1HRASMAOB
SCHEMBL20363032 0.69 ALDH1A1 (0.50) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL9543244 0.69 HTT (0.53) FOLH1NPC1RAB9AALDH1A1HRAS

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
EP-2857401-B1 NOVEL -LACTAMASE INHIBITOR AND METHOD FOR PRODUCING SAME MEIJI SEIKA PHARMA CO LTD (JP) 2019-09-18 EP disclosed