SCHEMBL6561118

SCHEMBL6561118

Cc1cc2c(cc1C)OC(C)(C)C(=O)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
PTPN1 P18031 1/20 0.31
ACHE P22303 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
AVPR1A P37288 1/20 0.30

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
SCHEMBL9692443 0.74 KDM4E (0.44) KDM4EALDH1A1HPGD
SCHEMBL7659637 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HPGDAVPR1A
SCHEMBL8069814 0.72 KDM4E (0.37) KDM4EALDH1A1HPGDGAA
SCHEMBL8645380 0.70 KDM4E (0.41) KDM4EALDH1A1HPGD
SCHEMBL8794691 0.70 TDP2 (0.46) KDM4EALDH1A1HPGD
SCHEMBL28830167 0.70 MAPT (0.47) KDM4EALDH1A1HPGDGAA
SCHEMBL8436289 0.68 KDM4E (0.40) KDM4EALDH1A1HPGD
SCHEMBL6559528 0.68 CA2 (0.43) KDM4EALDH1A1HPGDHTTGAA
SCHEMBL27671997 0.68 ALDH2 (0.40) ALDH1A1
SCHEMBL10293214 0.66 MAOA (0.39)

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-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
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