SCHEMBL6594108

SCHEMBL6594108

CCOC(=O)C(C)(N)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
ALOX15 P16050 1/20 0.38
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1096202 0.85 MMP8 (0.41) MMP8ALDH1A1MAPTLMNAHSD17B10
SCHEMBL26675893 0.82 MMP8 (0.42) MMP8ALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL17919759 0.82 ALDH1A1 (0.42) MMP8ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL27323787 0.82 MMP8 (0.53) MMP8ALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL28308283 0.81 MMP8 (0.45) MMP8ALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL4426319 0.79 MMP8 (0.76) MMP8ALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL10829557 0.79 MMP8 (0.42) MMP8SMN1; SMN2
SCHEMBL4374469 0.79 MMP8 (0.42) MMP8SMN1; SMN2
SCHEMBL7857447 0.79 MMP8 (0.59) MMP8ALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL4374468 0.79 MMP8 (0.42) MMP8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109890852-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2019-06-14 CN disclosed
EP-0888271-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-04-28 EP disclosed
US-6242454-B1 Benzamidine derivatives substituted by amino acid and hydroxy acid derivatives and their use as anti-coagulants BERLEX LABORATORIES INC. 2001-06-05 US disclosed
US-6166088-A CONTROLLING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-6071912-A INHIBIT HUMAN FACTOR XA AND ARE THEREFORE USEFUL AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY; AMINO-, OXY- AND THIA-SUBSTITUTED TRIAZINES BERLEX LABORATORIES, INC. (US) 2000-06-06 US disclosed
EP-0888271-A4 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2000-03-15 EP disclosed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed
EP-0888271-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1999-01-07 EP disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 WO disclosed