SCHEMBL7274447

SCHEMBL7274447

COC(=O)C(Cc1ccc(Oc2ccc(O)cc2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 4/20 0.60
CTSL P07711 2/20 0.59
CTSB P07858 2/20 0.59
CTSS P25774 2/20 0.59
CTSK P43235 2/20 0.59
MDM4 O15151 1/20 0.57
MDM2 Q00987 1/20 0.57
CYP3A4 P08684 3/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
TACR1 P25103 2/20 0.54
KYNU Q16719 1/20 0.54

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
SCHEMBL2402461 0.94 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRCTSLCTSB
SCHEMBL2420122 0.94 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRCTSLCTSB
SCHEMBL7294741 0.94 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRCTSLCTSB
SCHEMBL8569421 0.89 ALDH1A1 (0.65) ALDH1A1ALOX15TSHRCTSLCTSB
SCHEMBL2406036 0.89 ALDH1A1 (0.65) ALDH1A1ALOX15TSHRCTSLCTSB
SCHEMBL329686 0.89 ALDH1A1 (0.74) ALDH1A1ALOX15TSHRCTSLCTSB
SCHEMBL7151822 0.89 ALDH1A1 (0.74) ALDH1A1ALOX15TSHRCTSLCTSB
SCHEMBL9483283 0.88 PPARG (0.67) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL9483288 0.88 PPARG (0.67) ALDH1A1ALOX15CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL7928050 0.87 ALDH1A1 (0.72) ALDH1A1ALOX15TSHRCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040317-A AN ANTIAGGLOMERANTS USEFUL IN THE PREVENTION AND TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION MERCK & CO., INC. (US) 2000-03-21 US disclosed
US-5658929-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-08-19 US disclosed
EP-0478363-B1 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0743302-A2 Sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1996-11-20 EP disclosed
US-5292756-A Novel sulfonamide fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1993019046-A1 NOVEL SULFONAMIDE FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-30 WO disclosed
EP-0478363-A2 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed