SCHEMBL13753637

SCHEMBL13753637

Cc1cccc(C(=O)NC(C)CCC(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.64
▸ TAS1R3 Q7RTX0 1/20 0.58
▸ TAS1R1 Q7RTX1 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ GPR139 Q6DWJ6 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ RAB9A P51151 2/20 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
SCHEMBL13753638 0.85 HPGD (0.64) ATMPARP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13753654 0.85 SMN1; SMN2 (0.57) ATMPARP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13753786 0.84 HPGD (0.65) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL13753789 0.84 HPGD (0.51) ATMTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL13753787 0.83 TAS1R3 (0.61) TAS1R3TAS1R1PARP1SMN1; SMN2ALDH1A1
SCHEMBL4796548 0.82 ATM (0.63) ATMTAS1R3TAS1R1HDAC8HDAC6
SCHEMBL13753648 0.82 NPSR1 (0.65) TAS1R3TAS1R1ALDH1A1LMNACTSL
SCHEMBL13753576 0.81 ATM (0.73) ATMTAS1R3TAS1R1HDAC8HDAC6
SCHEMBL14359497 0.81 ATM (0.73) ATMTAS1R3TAS1R1HDAC8HDAC6
SCHEMBL13753788 0.81 ALDH1A1 (0.59) TAS1R3TAS1R1SMN1; SMN2ALDH1A1LMNA

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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