SCHEMBL28155368

SCHEMBL28155368

CCC(C)c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.51
TSHR P16473 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
PARP14 Q460N5 4/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42

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
SCHEMBL27490188 0.87 KIF11 (0.49) KIF11TSHRPARP14GABRPGABRD
SCHEMBL5596637 0.85 KIF11 (0.53) KIF11TSHRPARP14GABRPGABRD
SCHEMBL1725487 0.82 KIF11 (0.58) KIF11TSHRPARP14GABRPGABRD
SCHEMBL3028873 0.82 KIF11 (0.50) KIF11TSHRPARP14GABRPGABRD
SCHEMBL24309329 0.81 KIF11 (0.46) KIF11TSHRPARP14GABRPGABRD
Hydrochloric Acid SCHEMBL8935715 0.81 KIF11 (0.49) KIF11TSHRPARP14GABRPGABRD
SCHEMBL9963708 0.80 BCHE (0.51) KIF11TSHRCHRNB2CHRNA7CHRNA4
SCHEMBL14472200 0.80 KIF11 (0.47) KIF11TSHRPARP14GABRPGABRD
SCHEMBL28140311 0.80 KIF11 (0.47) KIF11TSHRPARP14GABRPGABRD
SCHEMBL9654574 0.79 KIF11 (0.55) KIF11TSHRPARP14GABRPGABRD

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
CN-103842338-B Compound with oxime ester base and/or acyl group 美洲染料资源公司 2017-06-30 CN disclosed