SCHEMBL9788412

SCHEMBL9788412

Clc1c[c]c(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 7/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A3 Q01959 3/20 0.50
HPGD P15428 2/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAPT P10636 1/20 0.50
HSPA5 P11021 1/20 0.50
CBR1 P16152 1/20 0.50
TBXA2R P21731 1/20 0.50
AGTR1 P30556 1/20 0.50
SLC6A4 P31645 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
RHEB Q15382 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3284502 0.82 TTR (0.41) TTRSLC6A2SLC6A3HPGDNR1I2
SCHEMBL1531949 0.79 TTR (0.47) TTRSLC6A2SLC6A3HPGDNR1I2
SCHEMBL29436001 0.78 TTR (0.59) TTRSLC6A2SLC6A3HPGDNR1I2
SCHEMBL7186092 0.77 TTR (0.75) TTRSLC6A2SLC6A3HPGDNR1I2
SCHEMBL29492106 0.76 TTR (0.57) TTRSLC6A2SLC6A3HPGDNR1I2
SCHEMBL6782741 0.75 TTR (0.47) TTRSLC6A2SLC6A3HPGDNR1I2
SCHEMBL8125202 0.75 ALDH1A1 (0.41) TTRSLC6A2SLC6A3HPGDHSP90AA1
SCHEMBL9652575 0.72 MAOA (0.45) HPGDLMNAMAPTALDH1A1L3MBTL1
SCHEMBL8913702 0.72 TTR (0.72) TTRSLC6A2SLC6A3HPGDNR1I2
SCHEMBL29370878 0.72 TTR (0.52) TTRSLC6A2SLC6A3HPGDNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015466-A Dentifrices, mouthwashes THE PROCTER & GAMBLE COMPANY (US) 1991-05-14 US claimed
US-4702916-A AQUEOUS MIXTURE OF ALKLAI METAL SALT OF SATURATED FATTY ACID AND ALCOHOL AS VEHICLE WARNER-LAMBERT COMPANY (US) 1987-10-27 US claimed
EP-0225848-A2 Analgesic stick composition WARNER-LAMBERT COMPANY (US) 1987-06-16 EP claimed
EP-0099177-B1 HALOGENOPHENYL GLYCERIDE ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-27 EP claimed
US-20120183619-A1 TRICLOSAN DERIVATIVES AND NANOPARTICLES COMPRISING SAME BAR ILAN UNIVERSITY (IL) 2012-07-19 US disclosed