SCHEMBL8549758

SCHEMBL8549758

O=C(CN1C(=O)CC1S(=O)(=O)Cc1ccccc1)NCCCCCCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
FKBP1A P62942 2/20 0.42
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ASAH1 Q13510 3/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL8442243 0.94 TRPV1 (0.49) TRPV1FKBP1AASAH1LMNATSHR
SCHEMBL8522522 0.90 MEN1 (0.47) TRPV1FKBP1AASAH1LMNAALDH1A1
SCHEMBL8521285 0.90 MEN1 (0.47) TRPV1FKBP1AASAH1LMNAALDH1A1
SCHEMBL8521282 0.90 MEN1 (0.47) TRPV1FKBP1AASAH1LMNAALDH1A1
SCHEMBL8442958 0.89 MAPT (0.47) TRPV1FKBP1AASAH1LMNAKMT2A
SCHEMBL8440327 0.89 TRPV1 (0.44) TRPV1FKBP1ALMNAGAAGFER
SCHEMBL8590402 0.87 ALDH1A1 (0.43) TRPV1FKBP1AKDM4ELMNATSHR
SCHEMBL8438725 0.86 TRPV1 (0.41) TRPV1FKBP1AASAH1LMNASMN1; SMN2
SCHEMBL8554153 0.85 HPGD (0.46) FKBP1ANAMPTASAH1LMNAALDH1A1
SCHEMBL8443146 0.84 LMNA (0.41) TRPV1FKBP1ANAMPTLMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP claimed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO claimed