SCHEMBL13761539

SCHEMBL13761539

CCOc1cccc(C(=O)N[C@@H](C)CC2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ ALDH1A1 P00352 3/20 0.56
▸ GPR132 Q9UNW8 1/20 0.55
▸ TP53 P04637 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ CTSK P43235 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CTSB P07858 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46

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
SCHEMBL13754271 1.00 RAB9A (0.64) RAB9ASMN1; SMN2HPGDALDH1A1GPR132
SCHEMBL13753371 0.83 ALDH1A1 (0.71) RAB9ASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL5529012 0.82 CTSL (0.76) RAB9ASMN1; SMN2HPGDALDH1A1GPR132
SCHEMBL13753583 0.80 ALDH1A1 (0.65) RAB9ASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL13753830 0.79 ALDH1A1 (0.64) RAB9ASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL13754272 0.79 ALDH1A1 (0.74) RAB9ASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL13754119 0.79 ALDH1A1 (0.64) RAB9ASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL13753779 0.79 ALDH1A1 (0.64) RAB9ASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL13761468 0.79 ALDH1A1 (0.74) RAB9ASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL13753676 0.78 HPGD (0.66) RAB9ASMN1; SMN2HPGDALDH1A1TP53

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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