SCHEMBL21701049

SCHEMBL21701049

Cc1ccc(Oc2cccc(C(F)(F)F)c2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LTA4H P09960 1/20 0.48
KIF11 P52732 1/20 0.48
TEAD1 P28347 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
F10 P00742 1/20 0.43
AR P10275 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL23048515 0.87 AR (0.50) ALDH1A1KDM4ELTA4HKIF11TEAD1
SCHEMBL24155484 0.85 MAPT (0.50) ALDH1A1KDM4ELTA4HKIF11TEAD1
SCHEMBL27579381 0.85 LTA4H (0.59) ALDH1A1LTA4HKIF11TEAD1POLB
SCHEMBL9798371 0.85 LTA4H (0.54) ALDH1A1KDM4ELTA4HKIF11TEAD1
SCHEMBL276243 0.84 KMT2A (0.41) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL8302537 0.84 LTA4H (0.52) ALDH1A1KDM4ELTA4HKIF11POLB
SCHEMBL6489049 0.83 NPSR1 (0.48) ALDH1A1KDM4ELTA4HKIF11TEAD1
SCHEMBL12879325 0.82 AR (0.55) ALDH1A1KDM4ELTA4HKIF11TEAD1
SCHEMBL883737 0.82 PPARG (0.50) ALDH1A1KDM4ELTA4HKIF11MAPT
SCHEMBL875804 0.82 AR (0.56) ALDH1A1KDM4ELTA4HKIF11TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020031799-A1 COLORING COMPOSITION 住友化学株式会社 2020-02-13 WO disclosed