SCHEMBL7330187

SCHEMBL7330187

CCc1ccc(C(=O)O)c(O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.47
GABRD O14764 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA4 P48169 4/20 0.47
GABRE P78334 4/20 0.47
GABRA6 Q16445 4/20 0.47
GABRG1 Q8N1C3 4/20 0.47
GABRG3 Q99928 4/20 0.47
GABRQ Q9UN88 4/20 0.47
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 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
SCHEMBL311735 0.81 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24834805 0.81 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1997423 0.81 SMN1; SMN2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30946344 0.80 TSHR (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27647130 0.80 PARP1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10718195 0.79 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6051830 0.79 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8895034 0.79 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18795789 0.79 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14007366 0.79 PIM1 (0.58) PARP1ALDH1A1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430049-A Treating hyperproliferative disorders GAUT ZANE N (US) 1995-07-04 US claimed
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
CN-1169730-A Aromatic heterocyclic derivatives as enzyme inhibitors CORVAS INT INC (US) 1998-01-07 CN disclosed
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed
US-5430049-A Treating hyperproliferative disorders GAUT ZANE N (US) 1995-07-04 US disclosed