SCHEMBL7278380

SCHEMBL7278380

CC(C)CC(C=CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KISS1R Q969F8 1/20 0.39

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
SCHEMBL7278378 1.00 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31327457 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5537507 0.77 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19326808 0.76 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8111837 0.76 PRKCA (0.36) RNPEPSLC7A5ALDH1A1KISS1RMEN1
SCHEMBL15896443 0.75 SLC7A5 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3968790 0.75 RNPEP (0.46) RNPEPSLC7A5ALDH1A1KISS1RMEN1
Acetic Acid SCHEMBL15567199 0.74 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5514339 0.74 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19407226 0.73 TDP1 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5109000-A THIOL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITOR BEECHAM GROUP P.L.C. (GB) 1992-04-28 US disclosed
EP-0273689-B1 DERIVATIVES OF N-(2-ALKYL-3-MERCAPTO-GLUTARYL) ALPHA-AMINO ACIDS AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1991-11-27 EP disclosed
US-4937243-A TREATING CONNECTIVE TISSUE DISEASES BEECHAM GROUP P.L.C. (GB) 1990-06-26 US disclosed
EP-0273689-A2 Derivatives of N-(2-alkyl-3-mercapto-glutaryl) alpha-amino acids and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1988-07-06 EP disclosed