Alcohol

Alcohol

SCHEMBL28601219

CCO.O=[N+]([O-])c1ccc2ccccc2c1O

nearest known ligand 0.57

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
CASP6 P55212 1/20 0.57
ALDH1A1 P00352 3/20 0.51
HPRT1 P00492 1/20 0.49
CTSB P07858 1/20 0.49
TNF P01375 2/20 0.47
NOD1 Q9Y239 2/20 0.47
GPR35 Q9HC97 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
APAF1 O14727 1/20 0.47
ATM Q13315 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 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
Methyl Alcohol SCHEMBL28580666 0.92 CASP6 (0.62) CASP6ALDH1A1HPRT1CTSBTNF
SCHEMBL28058443 0.92 CASP6 (0.66) CASP6ALDH1A1HPRT1CTSBTNF
SCHEMBL589016 0.92 CASP6 (0.66) CASP6ALDH1A1HPRT1CTSBTNF
SCHEMBL11407415 0.90 CASP6 (0.64) CASP6ALDH1A1HPRT1CTSBTNF
Hydrogen Sulfide SCHEMBL28182398 0.90 CASP6 (0.64) CASP6ALDH1A1HPRT1CTSBTNF
Alcohol SCHEMBL27961237 0.81 ALDH1A1 (0.79) CASP6ALDH1A1HPRT1CTSBGPR35
SCHEMBL8671636 0.77 ALDH1A1 (0.55) CASP6ALDH1A1HPRT1CTSBTNF
SCHEMBL28966366 0.75 HPRT1 (0.54) CASP6ALDH1A1HPRT1CTSBTNF
Alcohol SCHEMBL27548373 0.74 HSD17B10 (0.58) ALDH1A1GPR35MEN1KMT2ATSHR
SCHEMBL7801282 0.74 ALDH1A1 (0.51) CASP6ALDH1A1HPRT1CTSBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113030073-B Method for extracting, showing and verifying copper and lead residues in bullet traces 公安部物证鉴定中心 2022-11-01 CN claimed
CN-113030073-A Method for extracting, showing and verifying copper and lead residues in bullet traces 公安部物证鉴定中心 2021-06-25 CN claimed
CN-113030073-B Method for extracting, showing and verifying copper and lead residues in bullet traces 公安部物证鉴定中心 2022-11-01 CN disclosed
CN-113030073-A Method for extracting, showing and verifying copper and lead residues in bullet traces 公安部物证鉴定中心 2021-06-25 CN disclosed