SCHEMBL8500732

SCHEMBL8500732

CCCCc1cc(CCCC)cc(OC(=O)Oc2ccccc2C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.47
▸ KMT2A Q03164 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ ACR P10323 1/20 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
SCHEMBL8500704 0.95 SLC6A3 (0.45) SLC6A3KMT2AHTTKDM4EHPGD
SCHEMBL7616075 0.91 MTNR1A (0.45) SLC6A3KMT2AHTT
SCHEMBL8498207 0.89 TSHR (0.47) KMT2AKDM4EHPGDHSD17B10MAPT
SCHEMBL5706004 0.89 PTGS2 (0.52) SLC6A3KMT2AHTTKDM4EHPGD
SCHEMBL8498516 0.85 PPARA (0.46) KDM4EHSD17B10PRSS1ALDH1A1L3MBTL1
SCHEMBL5706019 0.84 THRB (0.50) SLC6A3KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5705973 0.84 THRB (0.50) SLC6A3KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5706040 0.84 THRB (0.50) SLC6A3KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5706117 0.84 THRB (0.50) SLC6A3KMT2AHTTMAPTSMN1; SMN2
SCHEMBL7619853 0.83 SLC6A3 (0.48) SLC6A3KMT2AHTTKDM4EHPGD

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-0764673-B1 Process for the production of polycarbonate TEIJIN LTD (JP) 1999-11-17 — — EP disclosed
US-5696222-A MELT POLYCONDENSATION OF AN AROMATIC DIHYDROXY COMPOUND AND DIPHENYLCARBONATE, THEN ADDING A SPECIFIC CARBONATE OR CARBOCYCLIC ESTER TO FORM TERMINAL BLOCKED POLYCARBONATE TEIJIN LIMITED (JP) 1997-12-09 — — US disclosed
EP-0764673-A2 Process for the production of polycarbonate TEIJIN LIMITED (JP) 1997-03-26 — — EP disclosed
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