SCHEMBL9540375

SCHEMBL9540375

CC(O)c1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.47
RHEB Q15382 1/20 0.44
DUT P33316 1/20 0.41
PTGS1 P23219 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
SRD5A2 P31213 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL10549937 1.00 UGT2B7 (0.47) UGT2B7RHEBDUTPTGS1LMNA
SCHEMBL10549932 1.00 UGT2B7 (0.47) UGT2B7RHEBDUTPTGS1LMNA
SCHEMBL22888655 0.87 DUT (0.43) RHEBDUTPTGS1LMNAL3MBTL1
SCHEMBL3711021 0.87 SRD5A2 (0.39) RHEBDUTLMNAL3MBTL1SRD5A2
SCHEMBL10561616 0.84 LMNA (0.49) RHEBDUTLMNAHTR2ASLC6A4
SCHEMBL10469328 0.84 L3MBTL1 (0.39) RHEBDUTLMNAL3MBTL1SRD5A2
SCHEMBL6128579 0.84 SRD5A2 (0.47) DUTPTGS1LMNAL3MBTL1SRD5A2
SCHEMBL8848503 0.83 NR1I2 (0.37) DUTLMNAL3MBTL1SRD5A2
SCHEMBL23149872 0.81 L3MBTL1 (0.38) RHEBDUTLMNAL3MBTL1SRD5A2
SCHEMBL11172346 0.81 DUT (0.39) DUTLMNAL3MBTL1HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5306248-A None JP disclosed
JP-H05306248-A NEW DERIVATIVE OF BENZYL ALCOHOL ROUSSEL UCLAF 1993-11-19 JP disclosed
US-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
US-4485252-A INSECTICIDES AND MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-11-27 US disclosed
EP-0019787-B1 2-PHENYLALKEN-1-YL-CYCLOPROPANE-CARBOXYLIC ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES AND ACARICIDES; INTERMEDIATES IN THEIR PREPARATION BAYER AG (DE) 1984-03-14 EP disclosed
US-4344963-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
US-4297366-A INSECTICIDES, MITICIDES, AND PARASITICIDES; VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed
EP-0020954-A1 Fluoro-substituted oxyalkenyl-cyclopropane-carboxylic acid esters, process for their production, intermediates therefor, their production, insecticides and acaricides that contain the final products, their preparation and use BAYER AG (DE) 1981-01-07 EP disclosed
EP-0019787-A2 2-Phenylalken-1-yl-cyclopropane-carboxylic acid esters, process for their preparation and their use as insecticides and acaricides; intermediates in their preparation BAYER AG (DE) 1980-12-10 EP disclosed
US-4231953-A Fluoro substituted aryl esters and thiolesters of amino acids ZOECON CORPORATION (US) 1980-11-04 US disclosed
US-4229368-A Esters and thiolesters of unsaturated acids ZOECON CORPORATION (US) 1980-10-21 US disclosed