SCHEMBL9952870

SCHEMBL9952870

COc1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAOB P27338 1/20 0.42
HSD11B1 P28845 1/20 0.40
PGR P06401 1/20 0.40
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL14112614 0.88 AR (0.42) ARCA12CA1CA2CA4
SCHEMBL10659718 0.87 CA1 (0.50) ARCA12CA1CA2CA4
SCHEMBL255270 0.80 CA1 (0.55) ARCA12CA1CA2CA4
SCHEMBL30093322 0.80 CA1 (0.55) ARCA12CA1CA2CA4
SCHEMBL29749364 0.79 AR (0.49) ARCA12CA1CA2CA4
SCHEMBL16049413 0.79 AR (0.44) ARCA12CA1CA2CA4
SCHEMBL11143737 0.79 CA1 (0.42) ARCA12CA1CA2CA4
SCHEMBL7266155 0.79 NFE2L2 (0.44) ARCA12CA1CA2CA4
SCHEMBL10451316 0.79 AR (0.49) ARCA12CA1CA2CA4
SCHEMBL16952213 0.79 CA1 (0.42) ARCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053493-A1 METHOD FOR PRODUCING FLUORINATED COPOLYMER COMPOSITION, COATING COMPOSITION, ARTICLE HAVING COATING FILM, AND MOLDED PRODUCT ASAHI GLASS COMPANY, LIMITED (JP) 2013-02-28 US disclosed
WO-2012085169-A1 METALLIC AMIDOBORATES FOR FUNCTIONALIZING ORGANIC COMPOUNDS HAAG BENJAMIN (DE) 2012-06-28 WO disclosed