SCHEMBL11244564

SCHEMBL11244564

CCOC(=O)c1ccc2c(c1)sc1ccc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48

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
SCHEMBL29590299 0.91 CA12 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL50803 0.91 CA12 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28412145 0.90 CA12 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11244864 0.86 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31544289 0.83 HCRTR1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11243525 0.82 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL11247750 0.82 LMNA (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL85997 0.82 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL11240719 0.81 BCL2L1 (0.49) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11231115 0.81 LMNA (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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
US-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed