Sulfuric Acid

Sulfuric Acid

SCHEMBL7972067

CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1.O=S(=O)(O)O

nearest known ligand 0.53

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 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.53
CCR5 P51681 16/20 0.44
CCR3 P51677 1/20 0.38
CCR4 P51679 1/20 0.38
CXCR3 P49682 3/20 0.38
CCR7 P32248 2/20 0.38
CXCR5 P32302 1/20 0.38

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
SCHEMBL7969651 0.99 CCR2 (0.53) CCR2CCR5CCR3CCR4CXCR3
SCHEMBL30227439 0.97 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3036593 0.97 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5
Hydrochloric Acid SCHEMBL7931139 0.97 CCR2 (0.55) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3032178 0.95 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7970522 0.95 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7972148 0.95 CCR2 (0.49) CCR2CCR5CCR3CCR4CXCR3
SCHEMBL7968866 0.94 CCR2 (0.55) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3031528 0.93 CCR2 (0.58) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL30227218 0.93 CCR2 (0.58) CCR2CCR5CXCR3CCR7CXCR5

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed