SCHEMBL919244

SCHEMBL919244

N[C@H](CCC1CCCCC1)C(=O)[O-].[Na+]

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 2/20 0.39
METAP1 P53582 1/20 0.51
METAP2 P50579 1/20 0.42
HPGD P15428 1/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
EPHX1 P07099 2/20 0.35
SIGMAR1 Q99720 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
SCHEMBL10305559 0.81 METAP1 (0.55) METAP1METAP2ALOX5HPGDSLC1A3
SCHEMBL1224024 0.81 METAP1 (0.55) METAP1ALOX5SLC1A3SLC1A2SLC1A1
SCHEMBL21540294 0.81 METAP1 (0.55) METAP1METAP2ALOX5HPGDSLC1A3
SCHEMBL1768565 0.81 METAP1 (0.55) METAP1ALOX5SLC1A3SLC1A2SLC1A1
SCHEMBL2877061 0.81 METAP1 (0.55) METAP1ALOX5SLC1A3SLC1A2SLC1A1
SCHEMBL10078915 0.79 METAP1 (0.53) METAP1METAP2ALOX5HPGDSLC1A3
SCHEMBL22435220 0.79 METAP1 (0.53) METAP1METAP2ALOX5HPGDSLC1A3
Hydrochloric Acid SCHEMBL2033821 0.79 METAP1 (0.53) METAP1ALOX5SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL2029962 0.79 METAP1 (0.53) METAP1ALOX5SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL2029965 0.79 METAP1 (0.53) METAP1ALOX5SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 US disclosed