SCHEMBL9523588

SCHEMBL9523588

COCc1c(OC(=O)OC(C)C)ncc2[nH]c3ccccc3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.57
GABRG2 P18507 16/20 0.57
GABRB3 P28472 16/20 0.57
GABRA5 P31644 16/20 0.57
GABRA3 P34903 16/20 0.57
GABRA2 P47869 14/20 0.57
GABRA6 Q16445 10/20 0.57
GABRP O00591 9/20 0.57
GABRD O14764 9/20 0.57
GABRB1 P18505 9/20 0.57
GABRB2 P47870 9/20 0.57
GABRA4 P48169 9/20 0.57
GABRE P78334 9/20 0.57
GABRG1 Q8N1C3 9/20 0.57
GABRG3 Q99928 9/20 0.57
GABRQ Q9UN88 9/20 0.57
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 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
SCHEMBL9838495 0.88 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524238 0.87 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9199734 0.86 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7503968 0.86 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524472 0.86 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536184 0.86 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9525311 0.85 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8802668 0.85 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8907924 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10767371 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557497-A1 NEW $g(b)-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-01 EP disclosed
WO-1993006100-A1 NEW β-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed