Alpha-Terpineol

Alpha-Terpineol

SCHEMBL9706032

CC1=CC[C@@H](C(C)(C)O)CC1.CCO

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alpha-Terpineol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.86
CES2 O00748 3/20 0.62
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
STAT3 P40763 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRNA7 P36544 1/20 0.54
PTPN1 P18031 1/20 0.44
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS2R31 P59538 2/20 0.30
TAS2R46 P59540 2/20 0.30
TAS2R10 Q9NYW0 2/20 0.30

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
Alpha-Terpineol SCHEMBL28134655 0.95 LMNA (0.89) LMNACES2CYP3A4ALOX15STAT3
Alpha-Terpineol SCHEMBL980991 0.93 LMNA (1.00) LMNACES2CYP3A4ALOX15STAT3
Alpha-Terpineol SCHEMBL901351 0.93 LMNA (1.00) LMNACES2CYP3A4ALOX15STAT3
Alpha-Terpineol SCHEMBL28466 0.93 LMNA (1.00) LMNACES2CYP3A4ALOX15STAT3
Alpha-Terpineol SCHEMBL891812 0.93 LMNA (1.00) LMNACES2CYP3A4ALOX15STAT3
Alpha-Terpineol SCHEMBL10925321 0.93 LMNA (1.00) LMNACES2CYP3A4ALOX15STAT3
Alpha-Terpineol SCHEMBL9562893 0.91 LMNA (0.96) LMNACES2CYP3A4ALOX15STAT3
Nephthenol SCHEMBL14828377 0.86 LMNA (0.86) LMNACES2CYP3A4ALOX15STAT3
Nephthenol SCHEMBL29713433 0.86 LMNA (0.86) LMNACES2CYP3A4ALOX15STAT3
SCHEMBL29477354 0.86 LMNA (0.86) LMNACES2CYP3A4ALOX15STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013034581-A1 ANTIMICROBIAL COMPOSITION COMPRISING THYMOL AND A TERPINYL DERIVATIVE UNILEVER N.V. (NL) 2013-03-14 WO disclosed
US-5139562-A Exposure to cineole, fenchone, menthol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1992-08-18 US disclosed
WO-1992010934-A1 INHIBITION OF POTATO SPROUTING USING VOLATILE MONOTERPENES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1992-07-09 WO disclosed