SCHEMBL13754268

SCHEMBL13754268

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ LMNA P02545 4/20 0.58
▸ KMT2A Q03164 3/20 0.51
▸ NR1H4 Q96RI1 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL13761628 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13754272 0.87 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13761468 0.87 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13761469 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13753583 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13753788 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13754282 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13753371 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13753779 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4
SCHEMBL13753830 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAKMT2ANR1H4

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
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