SCHEMBL6559931

SCHEMBL6559931

CCS(=O)(=O)NC1CC(C)(C)Oc2ccc(C(=O)OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.44
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPV1 Q8NER1 3/20 0.40
SIRT2 Q8IXJ6 3/20 0.39
IDO1 P14902 1/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
ALOX5 P09917 1/20 0.36
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL6558681 0.91 KCNA5 (0.42) KCNA5MAPTHPGDALDH1A1KDM4E
SCHEMBL6560445 0.89 KCNA5 (0.44) KCNA5TRPV1SIRT2IDO1SIRT1
SCHEMBL6559262 0.89 TRPV1 (0.43) KCNA5MAPTALDH1A1KDM4ETRPV1
SCHEMBL6558679 0.86 HPGD (0.41) KCNA5HPGDALDH1A1KDM4ETRPV1
SCHEMBL6561146 0.86 KCNA5 (0.41) KCNA5MAPTALDH1A1TRPV1SIRT2
SCHEMBL6559382 0.83 MAPT (0.45) KCNA5MAPTALDH1A1TRPV1SIRT2
SCHEMBL6560806 0.82 KCNA5 (0.44) KCNA5TRPV1SIRT2CTSDBACE1
SCHEMBL6558734 0.81 TRPV1 (0.39) KCNA5MAPTHPGDALDH1A1KDM4E
SCHEMBL6558641 0.81 TRPV1 (0.39) KCNA5TRPV1SIRT2SIRT1CTSD
SCHEMBL6559589 0.80 TRPV1 (0.52) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed