SCHEMBL11112508

SCHEMBL11112508

CC(C)(C)C(C=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.42
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
HIF1A Q16665 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ADRB2 P07550 1/20 0.40
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AOC3 Q16853 1/20 0.35
TYR P14679 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
AKT1 P31749 1/20 0.34
CYP2A6 P11509 1/20 0.33

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 0.79 TSHR (0.40) FFAR2TSHRMAPK1HIF1ATDP1
SCHEMBL28077691 0.78 CYP2D6 (0.39) MAPK1LMNAKMT2AAOC3SLC6A2
SCHEMBL12361684 0.78 TSHR (0.43) FFAR2TSHRMAPK1HIF1ATDP1
SCHEMBL10077949 0.76 BRD4 (0.40) FFAR2TSHRMAPK1HIF1ATDP1
SCHEMBL31463333 0.73 FBP1 (0.33) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL8663245 0.72 FFAR2 (0.47) FFAR2TSHRMAPK1HIF1ATDP1
SCHEMBL11815736 0.71 ADRB2 (0.50) FFAR2TSHRMAPK1HIF1ATDP1
SCHEMBL96817 0.71 ADRB2 (0.50) FFAR2TSHRMAPK1HIF1ATDP1
SCHEMBL3660141 0.71 AKT1 (0.45) FFAR2TSHRMAPK1HIF1ATDP1
SCHEMBL23843796 0.70 TSHR (0.61) FFAR2TSHRMAPK1HIF1ATDP1

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
EP-0114487-A2 Fungicidal azolylethanol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-01 EP disclosed