SCHEMBL5510296

SCHEMBL5510296

Oc1cc(F)cc(NC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
HCAR1 Q9BXC0 1/20 0.38
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
KDR P35968 1/20 0.34
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL5514489 0.73 CA12 (0.55) CA12CA1CA9HCAR1RET
SCHEMBL5511531 0.73 XDH (0.34) HSD17B1HSD17B2
SCHEMBL77464 0.70 CA12 (0.57) CA12CA1CA9HCAR1HSD17B1
SCHEMBL29452900 0.70 CA12 (0.57) CA12CA1CA9HCAR1HSD17B1
SCHEMBL8612545 0.70 CYP3A4 (0.52) CA12CA9LMNAPOLB
SCHEMBL972239 0.69
SCHEMBL156265 0.69
SCHEMBL5508450 0.68
SCHEMBL28444452 0.67 MAPT (0.42) CA12CA1CA9LMNA
Water SCHEMBL21493261 0.67 CA9 (0.93) CA12CA1CA9HCAR1HSD17B1

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed