Alcohol

Alcohol

SCHEMBL28652002

CCO.CCOC(=O)CC#N

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
NLRP3 Q96P20 1/20 0.41
MCL1 Q07820 4/20 0.40
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL70685 0.95
Hydrochloric Acid SCHEMBL25408509 0.93
SCHEMBL6750259 0.93
SCHEMBL28807956 0.93 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
Ammonia Solution, Strong SCHEMBL8823685 0.93
SCHEMBL3370470 0.93
SCHEMBL11063668 0.91
SCHEMBL28440518 0.89 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10836027 0.89 NLRP3 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28258298 0.87 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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
CN-113583002-A Synthetic method of glycoluril analogue 兴义民族师范学院 2021-11-02 CN claimed
CN-113583002-A Synthetic method of glycoluril analogue 兴义民族师范学院 2021-11-02 CN disclosed