Alcohol

Alcohol

SCHEMBL7302824

CCO.Cl.N=C(N)NCCC[C@H](NC(=O)CNC(=O)CCc1ccccc1)C(=O)O.O

nearest known ligand 0.47

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 20)

geneUniProtsupporting neighboursconfidence
MMP1 known ✓ P03956 2/20 0.44
MMP7 known ✓ P09237 2/20 0.44
MMP13 known ✓ P45452 2/20 0.44
F2 P00734 1/20 0.47
HPGD P15428 1/20 0.46
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 2/20 0.44
GAA P10253 1/20 0.43
C3AR1 Q16581 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALB P02768 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
QRFPR Q96P65 1/20 0.41

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
Hydrochloric Acid SCHEMBL7302838 0.96 F2 (0.50) F2HPGDMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL7293874 0.82 F2 (0.48) F2HPGDGAASLC6A9SLC6A5
SCHEMBL8423661 0.81 CTSG (0.54) C3AR1LMNAALBL3MBTL1NPY1R
SCHEMBL8069663 0.81 C3AR1 (0.47) HPGDGAAC3AR1LMNAALB
SCHEMBL31751570 0.80 C3AR1 (0.43) F2C3AR1SLC6A5QRFPRNPY1R
SCHEMBL7786354 0.79 FOLH1 (0.49) C3AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL7786368 0.79 FOLH1 (0.49) C3AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL7442230 0.79 C3AR1 (0.62) HPGDMMP1MMP2MMP3MMP7
SCHEMBL7471967 0.79 C3AR1 (0.62) HPGDMMP1MMP2MMP3MMP7
SCHEMBL4407484 0.79 C3AR1 (0.53) HPGDGAAC3AR1NPY1R

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
EP-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP disclosed