SCHEMBL13754276

SCHEMBL13754276

CCOc1cccc(C(=O)N[C@H](C)c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
LMNA P02545 1/20 0.68
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
TAAR1 Q96RJ0 1/20 0.63
GPR139 Q6DWJ6 7/20 0.62
NR1H4 Q96RI1 1/20 0.56
KAT6A Q92794 1/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
ALOX12 P18054 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.55

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
SCHEMBL13753371 0.86 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13761486 0.84 ALDH1A1 (0.69) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13754286 0.82 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13753419 0.82 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13761465 0.82 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13754266 0.82 ACACB (0.67) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13761590 0.82 ACACB (0.67) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13753583 0.81 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13754270 0.80 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2ATAAR1
SCHEMBL13754287 0.80 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ATAAR1

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