Sulfuric Acid

Sulfuric Acid

SCHEMBL7430652

CNCC(=O)N1CCC[C@H]1C(=O)N(c1ccccc1)[C@H](C=O)CCCNC(=N)N.O=S(=O)(O)O

nearest known ligand 0.40

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
ACE P12821 5/20 0.35
ACE2 Q9BYF1 2/20 0.35
F2 P00734 5/20 0.34
FAP Q12884 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7433766 0.97 DPP4 (0.42) DPP4ACEACE2F2
SCHEMBL7444009 0.90 DPP4 (0.42) DPP4ACEACE2F2FAP
Hydrochloric Acid SCHEMBL7415872 0.89 DPP4 (0.41) DPP4ACEACE2F2FAP
Sulfuric Acid SCHEMBL7436108 0.89 ACE (0.37) DPP4ACEACE2F2FAP
Sulfuric Acid SCHEMBL9554342 0.88 DPP4 (0.37) DPP4ACEACE2F2
SCHEMBL9218974 0.88 DPP4 (0.44) DPP4ACEACE2F2
SCHEMBL7106838 0.86 ACE (0.39) DPP4ACEACE2F2FAP
SCHEMBL9221310 0.81 DPP4 (0.38) DPP4ACEF2FAP
SCHEMBL9226805 0.79 DPP4 (0.38) DPP4ACEF2FAP
SCHEMBL9223278 0.79 DPP4 (0.33) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP disclosed