SCHEMBL7474186

SCHEMBL7474186

Oc1ccc2c(c1)OC(C(Cl)C(F)(F)F)(C(F)(F)F)O2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PDK2 Q15119 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7468644 0.81 AHR (0.36) LMNAMAPT
SCHEMBL7468265 0.81 MAPT (0.41) PDK2KDM4EGAAMAPTSMN1; SMN2
SCHEMBL7471125 0.80 POLB (0.34) KDM4ELMNAGAAHSD17B10
SCHEMBL7466073 0.78 ALDH1A1 (0.38) HSD17B10
SCHEMBL7474543 0.76 HSD17B10 (0.38) CYP3A4PDK2LMNAMAPTHSD17B10
SCHEMBL7470198 0.73
SCHEMBL7466018 0.71 CYP1A2 (0.39) CYP3A4MAPTALOX15L3MBTL1
SCHEMBL2303611 0.68 CYP19A1 (0.46) CYP3A4KDM4EMAPT
SCHEMBL1765169 0.68 CYP3A4 (0.45) CYP3A4ESR1ESR2KDM4ELMNA
SCHEMBL7466538 0.68

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
EP-0596359-B1 Fluorinated 1,3-benzo- and 1,3-pyrido-dioxoles, process for their preparation and their use for the preparation of plant-protective agents BAYER AG (DE) 2002-07-03 EP disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
US-5420309-A Plant saftening agents, insecticides or nematocides BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 EP disclosed
EP-0596359-A2 Fluorinated 1,3-benzo- and 1,3-pyrido-dioxoles, process for their preparation and their use for the preparation of plant-protective agents BAYER AG (DE) 1994-05-11 EP disclosed