SCHEMBL7345167

SCHEMBL7345167

CC(=O)N(c1ccccc1)[C@@H](CCC(N)=O)C(=O)[O-].[Na+]

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.33
CA1 known ✓ P00915 1/20 0.33
ALOX5 known ✓ P09917 1/20 0.33
CA4 known ✓ P22748 1/20 0.33
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.34
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
FOLH1 Q04609 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL7342248 0.87 ALDH1A1 (0.40) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL7342254 0.87 ALDH1A1 (0.40) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL6464595 0.86 ALDH1A1 (0.39) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL7345170 0.86 MMP2 (0.40) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL11874055 0.76 LMNA (0.45) LMNATP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL28294340 0.75 KMT2A (0.40) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL6535237 0.73 SMN1; SMN2 (0.41) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL29033834 0.72 ALDH1A1 (0.40) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL757884 0.72 TP53 (0.48) LMNATP53ALDH1A1SMN1; SMN2MMP2
SCHEMBL8429495 0.71 LMNA (0.39) LMNATP53ALDH1A1SMN1; SMN2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4559325-A ANTITUMOR AGENTS BURZYNSKI STANISLAW R (US) 1985-12-17 US disclosed
US-4558057-A URINE EXTRACTS BURZYNSKI STANISLAW R (US) 1985-12-10 US disclosed
US-4470970-A ANTITUMOR AND-CARCINOGENIC AGENT EXTRACTED FROM URINE BURZYNSKI STANISLAW R 1984-09-11 US disclosed
EP-0069232-A2 Pharmaceutical composition comprising phenyl acetyl glutamine,a combination of this compound with phenylacetic acid or 3-(phenylacetylamino)piperidine-2,6-dione,a process for isolating the latter from urine and a process for the synthesis of 3-(phenylacetylamino)piperidine-2,6-dione BURZYNSKI, Stanislaw R. (US) 1983-01-12 EP disclosed