SCHEMBL9799551

SCHEMBL9799551

O/N=C\C(c1ccc(Cl)cc1)C(F)(F)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
MAPK1 P28482 3/20 0.41
HIF1A Q16665 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ADRB2 P07550 1/20 0.32
BRD4 O60885 1/20 0.32
CNR2 P34972 1/20 0.31
C3AR1 Q16581 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
CHRNA7 P36544 1/20 0.31
PPARG P37231 3/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL9570777 0.67 TSHR (0.40) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL10756100 0.67 ALDH1A1 (0.37) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL12611448 0.65 TSHR (0.52) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL21626316 0.63 TSHR (0.44) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL21508213 0.63 TSHR (0.44) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL1508521 0.63 TSHR (0.44) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL5865831 0.63 TSHR (0.44) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL8985603 0.63 GAA (0.44) TSHRMAPK1HIF1ATDP1LMNA
Chlorophenothane SCHEMBL27483995 0.63 TSHR (0.75) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL11216942 0.62 TSHR (0.61) TSHRMAPK1HIF1ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed