Sulfuric Acid

Sulfuric Acid

SCHEMBL28116564

CCC=C(C)C(=O)OCCN(C)C.CCC=C(C)C(=O)OCCN(C)C.O=S(=O)(O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 2/20 0.42
CHRM2 known ✓ P08172 1/20 0.42
CHRM3 known ✓ P20309 1/20 0.42
MAOA known ✓ P21397 1/20 0.31
SCN1A known ✓ P35498 1/20 0.31
SCN7A known ✓ Q01118 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
SCN5A known ✓ Q14524 1/20 0.31
SCN9A known ✓ Q15858 1/20 0.31
SCN2A known ✓ Q99250 1/20 0.31
SCN3A known ✓ Q9NY46 1/20 0.31
SCN8A known ✓ Q9UQD0 1/20 0.31
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
DNM1 Q05193 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
BCHE P06276 1/20 0.34
NPSR1 Q6W5P4 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
Sulfuric Acid SCHEMBL16660529 1.00 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL5604794 0.93 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRNB2
Hydrochloric Acid SCHEMBL29268857 0.92 CHRM2 (0.46) CHRM1CHRM2CHRM4CHRM5CHRNB2
Sulfuric Acid SCHEMBL127615 0.85 CHRM1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRNB2
Sulfuric Acid SCHEMBL28986896 0.83 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRNB2
N,N-Dimethylethanaminium SCHEMBL4648022 0.82 GLO1 (0.38) SMN1; SMN2NPSR1ALDH1A1MAPTLMNA
Sulfuric Acid SCHEMBL3054230 0.81 GLO1 (0.40) SMN1; SMN2NPSR1ALDH1A1MAPTLMNA
SCHEMBL28027536 0.80 CHRM2 (0.44) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL27985333 0.80 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL29003632 0.79 CHRM2 (0.38) CHRM1CHRM2CHRM4CHRM5CHRNB2

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
CN-106367212-A Liquid softener composition 狮王株式会社 2017-02-01 CN disclosed