SCHEMBL6743596

SCHEMBL6743596

Nc1ccc[c]c1C(=O)NC(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC3 O15379 4/20 0.50
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.39
ALOX12 P18054 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN1 P18031 1/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CETP P11597 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL7095610 0.80 RAB9A (0.47) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL7092287 0.78 RAB9A (0.44) HPGDALDH1A1GAAHTTMEN1
SCHEMBL7097980 0.75 GRM5 (0.41) HPGDALDH1A1GAAHTTMEN1
SCHEMBL6737820 0.71 RAB9A (0.45) HDAC1HDAC2HDAC3HPGDALDH1A1
SCHEMBL6484868 0.71 ALDH1A1 (0.35) HDAC1HDAC2HDAC3ALDH1A1GAA
SCHEMBL6698677 0.71 ALDH1A1 (0.35) HPGDALDH1A1GAAHTTMEN1
SCHEMBL7990575 0.70 HDAC3 (0.41) HDAC1HDAC2HDAC3HPGDALDH1A1
SCHEMBL7088459 0.70 ALOX5 (0.41) ALDH1A1KMT2AKDM4ENPSR1SMN1; SMN2
SCHEMBL4266412 0.69 KCNK3 (0.61) HPGDALDH1A1ALOX12GAAHTT
SCHEMBL7476442 0.67 ALDH1A1 (0.37) HDAC1HPGDALDH1A1KMT2AKDM4E

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-6686484-B2 ANTICOAGULANTS; SERINE PROTEASE INHIBITOR PHARMACIA CORPORATION 2004-02-03 US claimed