Alcohol

Alcohol

SCHEMBL11041728

CCO.CS(=O)(=O)OCC(c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NR1I2 O75469 1/20 0.33
FFAR1 O14842 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
SCHEMBL11041732 0.94 CA12 (0.36) CA12CA1CA2CA7CA9
Alcohol SCHEMBL11044375 0.80 LMNA (0.35) ALDH1A1
Alcohol SCHEMBL11043157 0.77 POLB (0.38) ALDH1A1CA12CA1CA2CA7
Alcohol SCHEMBL11041405 0.77 LMNA (0.35) ALDH1A1
SCHEMBL11041734 0.76 KMT2A (0.40) ALDH1A1CTSLCTSBCTSS
Alcohol SCHEMBL11039768 0.76 ALDH1A1 (0.38) ALDH1A1
Alcohol SCHEMBL11044361 0.75 TSHR (0.37) ALDH1A1CTSLCTSSCA12CA7
Alcohol SCHEMBL11039894 0.75 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA7
SCHEMBL7516303 0.73 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL26598415 0.73 ELANE (0.40) FFAR1

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-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 US disclosed