SCHEMBL10694812

SCHEMBL10694812

CC(C)(C)c1ccc(C(Br)CCBr)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GRIA4 P48058 4/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
TP53 P04637 1/20 0.34
BCHE P06276 5/20 0.33
ACHE P22303 5/20 0.33
ATM Q13315 1/20 0.33
GPR35 Q9HC97 1/20 0.33
FFAR1 O14842 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL15435343 0.84 GRIA4 (0.45) TSHRGRIA4LMNATYRTP53
SCHEMBL30943788 0.83 TSHR (0.41) TSHRGRIA4LMNATYRTP53
SCHEMBL15435180 0.79 GRIA4 (0.42) TSHRGRIA4LMNATYRTP53
SCHEMBL8762246 0.73 TSHR (0.48) TSHRGRIA4LMNATYRTP53
SCHEMBL8545831 0.72 TSHR (0.46) TSHRGRIA4LMNATYRTP53
SCHEMBL4450297 0.72 HRH1 (0.41) TSHRALDH1A1
SCHEMBL12971364 0.70 TSHR (0.44) TSHRGRIA4LMNATYRTP53
SCHEMBL11492811 0.68 GRIA4 (0.41) TSHRGRIA4LMNATYRTP53
SCHEMBL292572 0.68 TSHR (0.52) TSHRGRIA4LMNATYRTP53
SCHEMBL8053565 0.67 GRIA4 (0.47) TSHRGRIA4LMNATYRTP53

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-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed