SCHEMBL8326762

SCHEMBL8326762

CCOC(=O)COc1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 6/20 0.64
HSD17B10 Q99714 3/20 0.64
ALOX15 P16050 2/20 0.64
MEN1 O00255 3/20 0.62
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
USP2 O75604 2/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 4/20 0.53
LMNA P02545 4/20 0.53
RAB9A P51151 4/20 0.53
MCL1 Q07820 2/20 0.53
NR4A1 P22736 1/20 0.53
NPC1 O15118 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CXCR1 P25024 1/20 0.49

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
Hydrochloric Acid SCHEMBL8327375 0.99 MAPT (0.63) MAPTKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL12814058 0.88 NPSR1 (0.58) MAPTALDH1A1ALOX15TSHRKDM4E
Hydrochloric Acid SCHEMBL12814057 0.87 NPSR1 (0.57) MAPTALDH1A1ALOX15TSHRKDM4E
SCHEMBL8662466 0.86 MAPT (0.61) MAPTKMT2AALDH1A1HSD17B10ALOX15
Hydrochloric Acid SCHEMBL9409454 0.85 MAPT (0.60) MAPTKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL22192691 0.84 NPC1 (0.65) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8322738 0.82 MAPT (0.61) MAPTKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL7445049 0.81 MAPT (0.62) MAPTKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL22495337 0.81 MAPT (0.79) MAPTKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL24891825 0.80 RAB9A (0.64) MAPTKMT2AALDH1A1HSD17B10ALOX15

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
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP claimed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP claimed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO claimed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed