SCHEMBL8990966

SCHEMBL8990966

COc1ccc(Cl)c(Cl)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
AMY1A P0DUB6 2/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
G6PD P11413 1/20 0.40
S1PR1 P21453 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL6298497 0.86 HTR2A (0.41) HTR2AHTR2CHTR2BL3MBTL1KDM4E
SCHEMBL9417290 0.83 ALDH1A1 (0.47) L3MBTL1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL2355429 0.82 ALDH1A1 (0.50) HTR2AHTR2CHTR2BL3MBTL1KDM4E
SCHEMBL29536407 0.82 ALDH1A1 (0.50) HTR2AHTR2CHTR2BL3MBTL1KDM4E
SCHEMBL30715275 0.80 ALDH1A1 (0.46) HTR2AHTR2CHTR2BL3MBTL1KDM4E
SCHEMBL53547 0.80 ALDH1A1 (0.46) HTR2AHTR2CHTR2BL3MBTL1KDM4E
SCHEMBL30826167 0.80 HTR2A (0.37) HTR2AHTR2CHTR2BL3MBTL1KDM4E
SCHEMBL8940613 0.80 ALDH1A1 (0.37) HTR2AHTR2CHTR2BL3MBTL1KDM4E
SCHEMBL5226504 0.79 ALDH1A1 (0.42) L3MBTL1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL10042714 0.79 CYP19A1 (0.40) KDM4EALDH1A1AMY1AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5481815-A APPARATUS FOR TREATING SEDIMENT IN A WATER BODY HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF THE ENVIRONMENT (CA) 1996-01-09 US disclosed
WO-1995001230-A1 METHOD AND DEVICE FOR SEDIMENT DETOXIFICATION HER MAJESTY IN RIGHT OF CANADA, represented by THE MINISTER OF THE ENVIRONMENT (CA) 1995-01-12 WO disclosed
US-4973600-A CONGESTIVE HEART FAILURE, GOUT, DIRUETICS, HYPERURICEMIA TANABE SEIYAKU CO., LTD. (JP) 1990-11-27 US disclosed
US-4965282-A DIURETICS TANABE SEIYAKU CO., LTD. (JP) 1990-10-23 US disclosed
EP-0329326-A1 Benzodioxole derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-23 EP disclosed
EP-0021294-B1 CHEMICAL DETOXIFICATION OF TOXIC CHLORINATED AROMATIC COMPOUNDS Vertac Chemical Corporation (US) 1984-10-10 EP disclosed
US-4327027-A Chemical detoxification of toxic chlorinated aromatic compounds VERTAC CHEMICAL CORPORATION (US) 1982-04-27 US disclosed
EP-0021294-A1 Chemical detoxification of toxic chlorinated aromatic compounds Vertac Chemical Corporation (US) 1981-01-07 EP disclosed