SCHEMBL8462292

SCHEMBL8462292

Oc1ccc([C@H](F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.54
ESR2 Q92731 11/20 0.54
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALOX15 P16050 3/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGS1 P23219 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
SCHEMBL320072 1.00 ESR1 (0.54) ESR1ESR2PDCD1CD274ALOX15
SCHEMBL29249203 0.89 ESR1 (0.50) ESR1ESR2MEN1KMT2A
SCHEMBL22159396 0.88 ESR1 (0.38) ESR1ESR2
SCHEMBL27878895 0.87 ESR1 (0.50) ESR1ESR2PDCD1CD274ALOX15
SCHEMBL2477309 0.84 ESR1 (0.52) ESR1ESR2PDCD1CD274ALOX15
SCHEMBL10578908 0.79 IDO1 (0.38) ESR1ESR2CYP1A2CYP2D6CHRM1
SCHEMBL29184952 0.78 ESR1 (0.40) ESR1ESR2CYP3A4MAPTTDP1
SCHEMBL3130888 0.77 TSHR (0.48) ESR1ESR2LMNAMAPTTDP1
SCHEMBL10821953 0.77 ESR1 (0.32) ESR1ESR2
SCHEMBL6516945 0.77 CYP2A6 (0.36) ESR1ESR2CYP1A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530289-B2 Crosslinked polymers and a method for heavy metal ion removal KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-12-20 US disclosed
US-20190092892-A1 CROSSLINKED POLYMERS AND A METHOD FOR HEAVY METAL ION REMOVAL KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-03-28 US disclosed
EP-0902806-A1 FLUOROELASTOMER COMPOSITIONS DYNEON LLC (US) 1999-03-24 EP disclosed
WO-1997045480-A1 FLUOROELASTOMER COMPOSITIONS DYNEON LLC (US) 1997-12-04 WO disclosed