SCHEMBL8430640

SCHEMBL8430640

COc1cc(Cl)c(OC)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 3/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
TPMT P51580 1/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HPGD P15428 1/20 0.37
DBH P09172 1/20 0.37
CYP2E1 P05181 1/20 0.36

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
SCHEMBL12745839 0.84 TAAR1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL6732214 0.80 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL54507 0.80 KMT2A (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL12325399 0.80 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL1047515 0.80 ALDH1A1 (0.56) ALDH1A1GAACYP1A1CYP1B1CYP1A2
SCHEMBL3753027 0.78 ACHE (0.52) ALDH1A1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL2560197 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EGAACYP1A1CYP1B1
SCHEMBL31325947 0.77 TPMT (0.50) ALDH1A1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL25372640 0.76 ALDH1A1 (0.50) ALDH1A1GAACYP1A1CYP1B1CYP1A2
SCHEMBL7931002 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4

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-0957684-A1 MICROEMULSION AND METHOD Troy Technology Corporation, Inc. (US) 1999-11-24 EP claimed
WO-1998018321-A1 MICROEMULSION AND METHOD TROY TECHNOLOGY CORPORATION, INC. (US) 1998-05-07 WO claimed
EP-1092721-B1 Chiral glucosides and their use as chiral dopants for the production of cholesteric liquid crystalline compositions BASF AG (DE) 2007-12-19 EP disclosed
EP-0900016-A1 PROCESS AND AGENTS FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1999-03-10 EP disclosed
CN-1196657-A Harmful fungi control with composition containing active substance respiration by inhibiting cytochrome complex III and amide BASF AG (DE) 1998-10-21 CN disclosed
WO-1997039630-A1 PROCESS AND AGENTS FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed
EP-0031054-A1 Soil disinfectant composition, a method for preventing and controlling diseases in soil and certain phenylphosphinic acid salts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-07-01 EP disclosed
US-4066708-A PROCESS FOR PREPARING CHLORINATED HYDROQUINONE DIMETHYL ETHERS HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 US disclosed