SCHEMBL7276946

SCHEMBL7276946

CC(=O)n1cc(CCCO)c2ccccc21.CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTT P42858 2/20 0.42
OXER1 Q8TDS5 1/20 0.42
ALDH1A1 P00352 5/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IL6ST P40189 1/20 0.39
MAPT P10636 8/20 0.39
KDM4E B2RXH2 5/20 0.39
CREBBP Q92793 1/20 0.38
MTNR1A P48039 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7274641 0.87 POLB (0.54) POLBHTTOXER1ALDH1A1RECQL
SCHEMBL7276942 0.85 OXER1 (0.42) HTTOXER1ALDH1A1L3MBTL1MAPT
SCHEMBL27385284 0.82 POLB (0.43) POLBHTTOXER1ALDH1A1RECQL
SCHEMBL10359905 0.79 HTT (0.51) POLBHTTOXER1ALDH1A1IL6ST
SCHEMBL30569636 0.77 L3MBTL1 (0.63) POLBOXER1L3MBTL1IL6STCREBBP
SCHEMBL3165284 0.77 L3MBTL1 (0.63) POLBOXER1L3MBTL1IL6STCREBBP
SCHEMBL16145665 0.74 POLB (0.52) POLBALDH1A1
SCHEMBL28319256 0.73 L3MBTL1 (0.41) OXER1ALDH1A1RECQLL3MBTL1IL6ST
SCHEMBL29424269 0.72 HTR2A (0.59) POLBHTTOXER1ALDH1A1MAPT
SCHEMBL12775639 0.72 CREBBP (0.48) POLBHTTALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512831-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-09-22 EP disclosed
EP-0478362-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-06-09 EP disclosed
EP-0512829-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1998-03-04 EP disclosed
US-5455243-A Anticoagulants MERCK & CO., INC. (US) 1995-10-03 US disclosed
US-5321034-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-06-14 US disclosed
US-5281585-A Secondary amide containing antagonist MERCK & CO., INC. (US) 1994-01-25 US disclosed
US-5264420-A Anticoagulants MERCK & CO., INC. (US) 1993-11-23 US disclosed
WO-1992019595-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1992-11-12 WO disclosed
EP-0512831-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0478362-A2 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed