SCHEMBL7335663

SCHEMBL7335663

O=C(O)CNC1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 5/20 0.35
TP53 P04637 2/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7347720 1.00 ALDH1A1 (0.38) ALDH1A1USP2SMN1; SMN2LMNAKDM4E
SCHEMBL901643 0.94 ALDH1A1 (0.33) ALDH1A1USP2SMN1; SMN2LMNAKDM4E
SCHEMBL343088 0.94 ALDH1A1 (0.33) ALDH1A1USP2SMN1; SMN2LMNAKDM4E
SCHEMBL6687035 0.79
SCHEMBL377817 0.76
SCHEMBL30918323 0.74 EPHX2 (0.42) ALDH1A1LMNAHPGDMEN1KMT2A
Acetic Acid SCHEMBL2995772 0.74 DPP4 (0.33) ALDH1A1USP2SMN1; SMN2LMNAKDM4E
SCHEMBL8923859 0.72
SCHEMBL28419139 0.72
SCHEMBL8074920 0.72 SLC6A1 (0.35)

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008037-B1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-09-26 EP claimed
EP-2673287-B1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-08-30 EP claimed
EP-3008037-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2016-04-20 EP claimed
EP-2877485-A1 HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2015-06-03 EP claimed
WO-2014198372-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2014-12-18 WO claimed
WO-2014015934-A1 HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2014-01-30 WO claimed
EP-2673287-A1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2013-12-18 EP claimed
WO-2012107153-A1 AMINO STATIN DERIVATIVESFOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2012-08-16 WO claimed
EP-3008037-B1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-09-26 EP disclosed
EP-2877485-B1 HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-03-14 EP disclosed
EP-2673287-B1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-08-30 EP disclosed
EP-3008037-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2016-04-20 EP disclosed
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 EP disclosed
EP-2877485-A1 HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2015-06-03 EP disclosed
EP-0717736-A4 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LTD (HK) 1996-08-28 EP disclosed
EP-0717736-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1996-06-26 EP disclosed
EP-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 EP disclosed
WO-1995007269-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1995-03-16 WO disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed