SCHEMBL13754286

SCHEMBL13754286

CCOc1cccc(C(=O)N[C@H](C)C(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 4/20 0.56
NR1H4 Q96RI1 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 4/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 3/20 0.55
POLB P06746 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL13753419 1.00 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13761465 1.00 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13753371 0.90 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13754287 0.89 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13761363 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13761461 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13754270 0.86 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13753583 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4
SCHEMBL13753418 0.84 TAS1R3 (0.63) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL13754272 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KMT2ALMNANR1H4

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-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed