SCHEMBL9845684

SCHEMBL9845684

CC(F)=Cc1ccc(O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
SNCA P37840 1/20 0.42
EGFR P00533 2/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 1/20 0.40
TRPA1 O75762 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
MGLL Q99685 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
MAPT P10636 2/20 0.38
MIF P14174 1/20 0.38
MCL1 Q07820 1/20 0.38
TUBB1 Q9H4B7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9845679 1.00 KDM1A (0.42) KDM1ASNCAEGFRABL1ABL2
SCHEMBL9845688 0.80 TP53 (0.45) EGFRABL1ABL2ESR1ESR2
SCHEMBL9845691 0.80 TP53 (0.45) EGFRABL1ABL2ESR1ESR2
SCHEMBL9255530 0.79 PTGS2 (0.54) KDM1ASNCAESR1ESR2TUBB1
SCHEMBL9255534 0.79 PTGS2 (0.54) KDM1ASNCAESR1ESR2TUBB1
SCHEMBL2085781 0.78 AKR1C3 (0.52) KDM1ASNCAEGFRABL1ABL2
SCHEMBL2085780 0.78 AKR1C3 (0.52) KDM1ASNCAEGFRABL1ABL2
SCHEMBL7631589 0.76 MAPT (0.66) KDM1ASNCAEGFRABL1TRPA1
SCHEMBL11599639 0.73 CNR2 (0.64) KDM1ASNCAMAPTMCL1TUBB1
SCHEMBL3225328 0.72 TRPA1 (0.52) KDM1ASNCATRPA1ESR1ESR2

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
CN-100405220-C Acid-decomposable resin composition containing ketone-aldehyde copolymer NIPPON SODA CO (JP) 2008-07-23 CN disclosed
CN-1630835-A Acid-decomposable resin composition containing ketone-aldehyde copolymer NIPPON SODA CO (JP) 2005-06-22 CN disclosed
EP-0410379-A2 Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-30 EP disclosed