Alcohol

Alcohol

SCHEMBL20856541

C=CC(=O)Nc1ccccc1CCCO.CCO

nearest known ligand 0.44

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
▸ THRA P10827 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ SLC16A3 O15427 3/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL20856584 0.96 TGM2 (0.46) THRATHRBTRPV1TGM2EGFR
SCHEMBL10437098 0.88 THRA (0.50) THRATHRBTGM2EGFRSLC16A3
SCHEMBL28738658 0.87 THRA (0.56) THRATHRBTGM2EGFRSLC16A3
SCHEMBL20856610 0.86 TGM2 (0.49) TRPV1TGM2EGFRRORCPTPN1
SCHEMBL27909138 0.86 THRA (0.58) THRATHRBSLC16A3POLBCYSLTR2
SCHEMBL28857121 0.84 THRA (0.57) THRATHRBSLC16A3POLBCYSLTR2
SCHEMBL28857158 0.84 THRA (0.57) THRATHRBSLC16A3POLBCYSLTR2
SCHEMBL28857136 0.84 THRA (0.57) THRATHRBSLC16A3POLBCYSLTR2
SCHEMBL28857160 0.84 THRA (0.57) THRATHRBSLC16A3POLBCYSLTR2
SCHEMBL28857124 0.84 THRA (0.57) THRATHRBSLC16A3POLBCYSLTR2

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
WO-2019067396-A1 ZAP-70 KINASE INHIBITOR COMPOSITIONS, METHODS AND USES THEREOF SNAP BIO, INC. (US) 2019-04-04 — — WO disclosed
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