SCHEMBL5318844

SCHEMBL5318844

Clc1cccc(C(Cl)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ACP3 P15309 1/20 0.47
ALDH1A1 P00352 1/20 0.44
AOC3 Q16853 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 3/20 0.40
PNMT P11086 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRM5 P08912 1/20 0.38

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
SCHEMBL11614094 0.84 ACP3 (0.47) TSHRACP3ALDH1A1AOC3MEN1
SCHEMBL29712699 0.84 ACP3 (0.47) TSHRACP3ALDH1A1AOC3MEN1
SCHEMBL631114 0.83 TSHR (0.61) TSHRACP3ALDH1A1
SCHEMBL4088685 0.81 ACP3 (0.48) TSHRACP3ALDH1A1AOC3MEN1
SCHEMBL30549338 0.80 PNMT (0.45) TSHRACP3ALDH1A1AOC3OPRM1
SCHEMBL19390817 0.80 ACP3 (0.48) TSHRACP3ALDH1A1AOC3MEN1
SCHEMBL28258021 0.80 ACP3 (0.44) TSHRACP3ALDH1A1AOC3MEN1
SCHEMBL27551141 0.80 ACP3 (0.48) TSHRACP3ALDH1A1AOC3MEN1
SCHEMBL27991707 0.80 ACP3 (0.44) TSHRACP3ALDH1A1AOC3MEN1
SCHEMBL8094299 0.80 PNMT (0.45) TSHRACP3ALDH1A1AOC3OPRM1

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
EP-2385980-B1 BACTERIAL VACCINES WITH CELL WALL-ASSOCIATED CERAMIDE-LIKE GLYCOLIPIDS AND USES THEREOF ALBERT EINSTEIN COLLEGE MEDICINE INC (US) 2018-04-18 EP disclosed
US-20070219330-A1 Amide initiators WARWICK EFFECT POLYMERS LIMITED (GB) 2007-09-20 US disclosed
WO-2007083097-A1 LIVING RADICAL POLYMERISATION PROCESS WARWICK EFFECT POLYMERS LTD. (GB) 2007-07-26 WO disclosed
EP-0150169-B1 A PROCESS FOR PREPARING SUBSTITUTED BENZOTRICHLORIDE COMPOUNDS Monsanto Company (US) 1987-11-11 EP disclosed
US-4593144-A REACTING SUBSTITUTED BENZAL CHLORIDES WITH PRECHLOROALKANE IN PRESENCE OF BASE AND PHASE TRANSFER CATALYST MONSANTO COMPANY (US) 1986-06-03 US disclosed
EP-0150169-A2 A process for preparing substituted benzotrichloride compounds Monsanto Company (US) 1985-07-31 EP disclosed
US-4450298-A Vapor phase catalytic hydrolysis of benzal chloride or its halogen- or trifluoromethyl-substitute to form benzaldehyde or substitute CENTRAL GLASS COMPANY, LIMITED (JP) 1984-05-22 US disclosed
US-4013817-A HALOGENATED AROMATIC HYDROCARBON BRIDGESTONE TIRE COMPANY LIMITED (JA) 1977-03-22 US disclosed