SCHEMBL28601405

SCHEMBL28601405

CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.42
GABRG2 P18507 9/20 0.42
GABRB3 P28472 9/20 0.42
GABRA3 P34903 9/20 0.42
GABRA2 P47869 9/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
GABRA5 P31644 7/20 0.41
GABRA6 Q16445 6/20 0.41
GABRA4 P48169 5/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL19878642 0.86 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12867867 0.83 ALOX15 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30454328 0.78 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5838109 0.77 ALDH1A1 (0.39) KDM4EELANEALDH1A1HSD17B10
SCHEMBL645520 0.77 RAB9A (0.56) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7165649 0.76 HCAR2 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30302109 0.76 RAB9A (0.55) GAANPC1RAB9ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL28853901 0.76 RAB9A (0.55) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL70624 0.75 GAA (0.67) KDM4EGLAGAACA12CA1
SCHEMBL109451 0.75 CA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2

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-113164571-A Inhibition of ubiquitin-specific peptidase 9X 福马治疗股份有限公司 2021-07-23 CN disclosed