SCHEMBL8799727

SCHEMBL8799727

CC(C)OC(C)n1c(-c2ccc(Cl)c(Cl)c2)c(Br)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AHR P35869 2/20 0.30
MEN1 O00255 1/20 0.30
CRHBP P24387 1/20 0.30
MC4R P32245 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30
CYP1B1 Q16678 1/20 0.30
SLC6A3 Q01959 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A2 P23975 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
SCHEMBL8799397 0.78 AHR (0.36) AKR1C3AKR1C2AHRMEN1CRHBP
SCHEMBL8797802 0.73 SLC6A3 (0.32) AKR1C3AKR1C2MEN1CRHBPMC4R
SCHEMBL8799224 0.73 AHR (0.33) AKR1C3AKR1C2AHRMEN1CRHBP
SCHEMBL7510534 0.68 NOTUM (0.35) AKR1C3AKR1C2MEN1CRHBPMC4R
SCHEMBL5819704 0.61 CTSS (0.33) MEN1KMT2ASLC6A3
SCHEMBL8799220 0.59 AHR (0.38) AKR1C3AKR1C2AHRMEN1KMT2A
SCHEMBL8799002 0.59 MEN1 (0.34) MEN1KMT2A
SCHEMBL8799050 0.57 KDM4E (0.32) MEN1CRHBPKMT2ACRHR2
SCHEMBL28561886 0.57 PTGER1 (0.32)
SCHEMBL9316592 0.57 PTGS1 (0.37) AKR1C3AKR1C2AHRMEN1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US claimed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP claimed