Acetic Acid

Acetic Acid

SCHEMBL20337861

CC(=O)O.CCn1ccc2c(Oc3cc(CN)ncn3)cccc21

nearest known ligand 0.66

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 8)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 14/20 0.66
▸ MCL1 Q07820 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ MAP2K7 O14733 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HTR2C P28335 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
SCHEMBL18361824 0.94 LOXL2 (0.64) LOXL2HTR2C
SCHEMBL18362073 0.90 LOXL2 (0.74) LOXL2MCL1PPARGPPARDPPARA
Acetic Acid SCHEMBL20337848 0.88 LOXL2 (0.67) LOXL2MAP2K7PPARGPPARA
SCHEMBL18361822 0.88 LOXL2 (0.74) LOXL2PPARGPPARDPPARA
SCHEMBL18361829 0.85 LOXL2 (0.70) LOXL2PPARGPPARAHTR2C
Trifluoroacetic Acid SCHEMBL20337918 0.84 LOXL2 (0.67) LOXL2PPARGPPARDPPARA
SCHEMBL18361807 0.83 LOXL2 (0.65) LOXL2MCL1HTR2C
SCHEMBL18362021 0.82 LOXL2 (0.61) LOXL2MAP2K7
SCHEMBL19952733 0.82 LOXL2 (0.64) LOXL2PPARGPPARA
SCHEMBL18362163 0.82 LOXL2 (0.61) LOXL2MCL1

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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 — — 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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX LOXL2 1/4885MCL1 1399/4885CYP19A1 1528/4885

“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.

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