SCHEMBL9753500

SCHEMBL9753500

N#C[C@H](O)c1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ERBB2 P04626 1/20 0.37
DUT P33316 1/20 0.35
AKR1C3 P42330 1/20 0.35
SRD5A2 P31213 1/20 0.35
TTR P02766 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGLL Q99685 1/20 0.34
PARP10 Q53GL7 1/20 0.34
RHEB Q15382 1/20 0.33

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
SCHEMBL7645648 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL31573173 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL3243488 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL29750217 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL10889414 0.88 SCN9A (0.38) TSHRHTR2ASLC6A4LMNAL3MBTL1
SCHEMBL10890094 0.87 KMT2A (0.39) TSHRSLC6A4
SCHEMBL9814890 0.87 SCN9A (0.39) TSHRHTR2ASLC6A4L3MBTL1
SCHEMBL9814747 0.87 SCN9A (0.39) TSHRHTR2ASLC6A4L3MBTL1
SCHEMBL11316434 0.87 TSHR (0.44) TSHRSLC6A4LMNANPSR1PARP10
SCHEMBL8076731 0.85 DUT (0.35) ERBB2DUTSRD5A2TTRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4701542-A Resolution of hemiacetals and alcohols ROUSSEL UCLAF (FR) 1987-10-20 US claimed
EP-0082049-B1 ETHERS WITH CHIRAL ATOMS IN THE ORGANIC REST GROUPS, THEIR PREPARATION, THEIR USE IN THE RESOLUTION OF ALCOHOLS OR OF CERTAIN HEMIACETALS, AND COMPOUNDS SO RESOLVED ROUSSEL-UCLAF (FR) 1987-07-29 EP claimed
JP-59205989-A None JP disclosed
EP-0148272-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BENZYL ALCOHOL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
WO-1991007379-A1 PREPARATION OF MIXTURES OF CYPERMETHRIN OR CYFLUTHRIN ISOMERS ENRICHED IN MORE ACTIVE SPECIES FMC CORPORATION (US) 1991-05-30 WO disclosed
US-4985365-A WITH AN ESTERASE FROM A MICROORGANISM, ASSYMETRIC HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1991-01-15 US disclosed
US-4935532-A Hemiacetals ROUSSEL UCLAF (FR) 1990-06-19 US disclosed
US-4883806-A ACARICIDES ROUSSEL UCLAF (FR) 1989-11-28 US disclosed
US-4788305-A HETEROCYCLIC HEMIACETALS ROUSSEL UCLAF (FR) 1988-11-29 US disclosed
US-4732903-A MITICIDES ROUSSEL UCLAF (FR) 1988-03-22 US disclosed
US-4701542-A Resolution of hemiacetals and alcohols ROUSSEL UCLAF (FR) 1987-10-20 US disclosed
US-4542142-A Insecticidal cyclopropane carboxylic acid derivatives with 3-unsaturated-side chain ROUSSEL UCLAF (FR) 1985-09-17 US disclosed
EP-0148272-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BENZYL ALCOHOL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-07-17 EP disclosed
JP-S59205989-A BIOCHEMICAL PREPARATION OF OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEM CO LTD 1984-11-21 JP disclosed
US-4478850-A DESTICIDES, NEMATOCIDES, MITICIDES, AND INSECTICIDES ROUSSEL UCLAF (FR) 1984-10-23 US disclosed
US-4463014-A PESTICIDE, INSECTICIDE, NEMATOCIDE, MITICIDES, AND FUNGICIDES Uclaf, Roussel (FR) 1984-07-31 US disclosed
EP-0022970-B1 STEREOISOMERS OF ALPHA-CYANO-3-PHENOXY-4-FLUOR-BENZYL ESTERS OF 2,2-DIMETHYL-3-(2,2-DICHLORO-VINYL)-CYCLOPROPANE CARBOXYLIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS INSECTICIDES AND ACARICIDES BAYER AG (DE) 1983-06-01 EP disclosed
US-4287208-A ESPECIALLY USEFUL AGAINST INSECTS AND ACARIDS BAYER AKTIENGESELLSCHAFT (DE) 1981-09-01 US disclosed
EP-0022970-A2 Stereoisomers of alpha-cyano-3-phenoxy-4-fluor-benzyl esters of 2,2-dimethyl-3-(2,2-dichloro-vinyl)-cyclopropane carboxylic acid, process for their preparation and their application as insecticides and acaricides BAYER AG (DE) 1981-01-28 EP disclosed