SCHEMBL10656300

SCHEMBL10656300

CC[C@H](C)[C@@H]([C]=O)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CTSL P07711 3/20 0.50
HPGD P15428 1/20 0.48
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
NPC1 O15118 1/20 0.46
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL10943353 1.00 RAB9A (0.59) RAB9AALDH1A1CTSLHPGDPRSS1
SCHEMBL27306278 0.83 ALDH1A1 (0.49) RAB9AALDH1A1CTSLHPGDCTRB1
SCHEMBL10921235 0.83 ALDH1A1 (0.52) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL10921240 0.83 ALDH1A1 (0.52) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL6841169 0.80 RAB9A (0.61) RAB9AALDH1A1CTSLHPGDPRSS1
SCHEMBL16225033 0.80 RAB9A (0.61) RAB9AALDH1A1CTSLHPGDPRSS1
SCHEMBL8526512 0.80 RAB9A (0.87) RAB9AALDH1A1HPGDPRSS1CTSG
SCHEMBL799431 0.80 RAB9A (0.87) RAB9AALDH1A1HPGDPRSS1CTSG
SCHEMBL8507346 0.80 RAB9A (0.87) RAB9AALDH1A1HPGDPRSS1CTSG
SCHEMBL8742306 0.79 ACACB (0.50) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A

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
US-4719200-A Amino acid derivatives and antihypertensive drugs containing the same AJINOMOTO CO., INC. (JP) 1988-01-12 US disclosed
EP-0074761-B1 PEPTIDE-TYPE SUBSTRATES USEFUL IN THE QUANTITATIVE DETERMINATION OF ENDOTOXIN WHITTAKER CORPORATION (US) 1985-12-27 EP disclosed