SCHEMBL2015172

SCHEMBL2015172

CCOC(=O)[C@H](Cc1ccccc1)NF

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.57
HPRT1 P00492 1/20 0.55
ELANE P08246 1/20 0.52
TP53 P04637 2/20 0.51
TACR1 P25103 1/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 2/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EGFR P00533 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2015170 1.00 MMP8 (0.57) MMP8HPRT1ELANETP53TACR1
Hydrochloric Acid SCHEMBL13724226 0.98 MMP8 (0.56) MMP8HPRT1ELANETP53TACR1
Hydrochloric Acid SCHEMBL13724224 0.98 MMP8 (0.56) MMP8HPRT1ELANETP53TACR1
SCHEMBL20239093 0.87 ATM (0.61) POLBALDH1A1GAARAB9AATM
SCHEMBL20239092 0.87 ATM (0.61) POLBALDH1A1GAARAB9AATM
SCHEMBL15343891 0.85 MMP8 (0.59) MMP8HPRT1ELANETP53TACR1
SCHEMBL8966036 0.85 MMP8 (0.59) MMP8HPRT1ELANETP53TACR1
SCHEMBL27464748 0.85 MMP8 (0.59) MMP8HPRT1ELANETP53TACR1
SCHEMBL4765072 0.85 MMP8 (0.59) MMP8HPRT1ELANETP53TACR1
SCHEMBL6322057 0.85 MMP8 (0.59) MMP8HPRT1ELANETP53TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4083052-A1 PEPTIDE CONJUGATES OF MELPHALAN FOR THE TREATMENT OF CANCER BKmdcl AB (SE) 2022-11-02 EP disclosed
CN-108685860-A Melphalan fluorine goes out the lyophilized preparation of amide 肿瘤多肽股份公司 2018-10-23 CN disclosed
CN-104994847-B Lyophilized formulation of melphalan flufenamide 肿瘤多肽股份公司 2018-08-10 CN disclosed
CN-108096563-A The lyophilized formulations of cytotoxicity dipeptides 肿瘤多肽股份公司 2018-06-01 CN disclosed
CN-107810189-A Method for preparing nitrogen mustard derivatives 肿瘤多肽股份公司 2018-03-16 CN disclosed
EP-3280721-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES Oncopeptides AB (SE) 2018-02-14 EP disclosed
WO-2016180740-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2016-11-17 WO disclosed
EP-2928463-A1 LYOPHILIZED PREPARATIONS OF MELPHALAN FLUFENAMIDE Oncopeptides AB (SE) 2015-10-14 EP disclosed
WO-2014065751-A1 LYOPHILIZED PREPARATIONS OF MELPHALAN FLUFENAMIDE ONCOPEPTIDES AB (SE) 2014-05-01 WO disclosed
EP-2701720-A1 LYOPHILIZED PREPARATION OF CYTOTOXIC DIPEPTIDES Oncopeptides AB (SE) 2014-03-05 EP disclosed
WO-2012146625-A1 LYOPHILIZED PREPARATION OF CYTOTOXIC DIPEPTIDES ONCOPEPTIDES AB (SE) 2012-11-01 WO disclosed
WO-2011078782-A1 A COMPOSITION COMPRISING OF MELPHALAN DERIVATIVES AND GEMCITABINE OR ETOPOSIDE USEFUL IN THE TREATMENT OF CANCER ONCOPEPTIDES AB (SE) 2011-06-30 WO disclosed
CN-1155611-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
EP-1129107-A1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC Pharma AG (CH) 2001-09-05 EP disclosed
WO-2000031119-A1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC PHARMA AG (CH) 2000-06-02 WO disclosed
EP-1001799-A1 PHARMACEUTICAL COMPOSITION CONTAINING PEPTICHEMIO Peptichemio AG (CH) 2000-05-24 EP disclosed
WO-1999002177-A1 PHARMACEUTICAL COMPOSITION CONTAINING PEPTICHEMIO PEPTICHEMIO AG (CH) 1999-01-21 WO disclosed