Acetic Acid

Acetic Acid

SCHEMBL5654743

CC(=O)O.CN(C)C(=O)COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.73
SLC5A7 Q9GZV3 1/20 0.54
HRH1 P35367 7/20 0.51
KCNH2 Q12809 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD4 P21917 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
F10 P00742 1/20 0.45
DRD2 P14416 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL27550778 0.88 CCR3 (0.83) CCR3SLC5A7HRH1KCNH2MEN1
Hydrochloric Acid SCHEMBL6397246 0.88 CCR3 (0.82) CCR3SLC5A7HRH1KCNH2MEN1
SCHEMBL5658825 0.85 CCR3 (1.00) CCR3SLC5A7HRH1KCNH2DRD4
Hydrochloric Acid SCHEMBL5659060 0.84 CCR3 (0.82) CCR3SLC5A7HRH1KCNH2MEN1
Hydrochloric Acid SCHEMBL6399917 0.84 CCR3 (0.98) CCR3SLC5A7HRH1KCNH2DRD4
Hydrochloric Acid SCHEMBL5657251 0.83 CCR3 (0.77) CCR3SLC5A7HRH1KCNH2MEN1
Acetic Acid SCHEMBL5656726 0.83 CCR3 (0.69) CCR3SLC5A7HRH1KCNH2MEN1
Hydrochloric Acid SCHEMBL5658313 0.83 CCR3 (0.76) CCR3SLC5A7HRH1KCNH2MEN1
SCHEMBL6395052 0.83 CCR3 (0.79) CCR3SLC5A7HRH1KCNH2MEN1
SCHEMBL6396375 0.82 CCR3 (0.81) CCR3SLC5A7HRH1KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304077-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-12-04 US disclosed
US-20040102432-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102432-A1 Chemical compounds CCL11, HRH1, HRH4 CCR3 17/4885SLC5A7 1670/4885HRH1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.