Alcohol

Alcohol

SCHEMBL11039743

CCO.Cc1ccc(CCOS(C)(=O)=O)c(C)c1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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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
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NR3C1 P04150 3/20 0.38
NR3C2 P08235 3/20 0.38
PGR P06401 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
P2RX7 Q99572 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CA1 P00915 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
SCHEMBL11039745 0.94 KDM4E (0.43) KDM4EALDH1A1NR3C1NR3C2PGR
Alcohol SCHEMBL11042063 0.83 NPSR1 (0.38) KDM4EALDH1A1USP2LMNAMMP9
Alcohol SCHEMBL6075483 0.81 TAAR1 (0.42) KDM4EALDH1A1NPC1RAB9AUSP2
SCHEMBL3593821 0.81 TAAR1 (0.50) KDM4EALDH1A1NR3C1NR3C2NPC1
SCHEMBL11039750 0.76 NR3C1 (0.42) KDM4EALDH1A1NR3C1NR3C2PGR
SCHEMBL11042066 0.75 KDM4E (0.41) KDM4EALDH1A1USP2LMNAMMP9
SCHEMBL3589537 0.74 TAAR1 (0.47) KDM4EALDH1A1USP2LMNAMMP9
SCHEMBL17643085 0.72 TAAR1 (0.47) KDM4EALDH1A1NR3C1NR3C2SMN1; SMN2
SCHEMBL7041482 0.72 ALDH1A1 (0.46) KDM4EALDH1A1NR3C1NR3C2PGR
Alcohol SCHEMBL11040577 0.71 CA12 (0.50) KDM4ESMN1; SMN2LMNACA1CA2

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