SCHEMBL17536174

SCHEMBL17536174

Cc1ccc(C(C)C)c(O)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS1 P23219 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
LMNA P02545 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2B P41595 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL8172436 0.80 GABRA1 (0.46) CYP1A2CYP3A4PTGS1GABRA1GABRB1
SCHEMBL27574690 0.78 GABRA1 (0.45) CYP1A2CYP3A4PTGS1GABRA1GABRB1
SCHEMBL10245691 0.78 GABRA1 (0.50) CYP1A2CYP3A4PTGS1GABRA1GABRB1
SCHEMBL6232940 0.75 LMNA (0.42) CYP1A2CYP3A4PTGS1GABRA1GABRB1
SCHEMBL6661835 0.74 HPGD (0.41) CYP1A2CYP3A4PTGS1GABRA1GABRB1
Orthothymotinic Acid SCHEMBL503619 0.73 LDHA (0.46) CYP1A2CYP3A4PTGS1GABRA1GABRB1
SCHEMBL1494556 0.72 GABRA1 (0.56) CYP1A2CYP3A4PTGS1GABRA1GABRB1
SCHEMBL29009803 0.72 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19KDM4EGAA
SCHEMBL6229370 0.72 PTGS1 (0.39) CYP1A2CYP3A4PTGS1GABRA1GABRB1
SCHEMBL30426974 0.72 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19KDM4EGAA

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
EP-2983470-B1 ANTIMICROBIAL MIXTURES OF AN ESSENTIAL OIL DERIVED BACTERICIDE AND AN ESSENTIAL OIL DERIVED FUNGICIDE WHICH EXTEND THE SHELF-LIFE OF PERISHABLE AGRICULTURAL COMMODITIES VERSEA HEALTH INC (US) 2024-03-13 EP claimed
US-11576377-B2 Antimicrobial mixtures of an essential oil derived bactericide and an essential oil derived fungicide which extend the shelf-life of perishable agricultural commodities Verséa Holdings Inc. (US) 2023-02-14 US claimed
US-11576377-B2 Antimicrobial mixtures of an essential oil derived bactericide and an essential oil derived fungicide which extend the shelf-life of perishable agricultural commodities Verséa Holdings Inc. (US) 2023-02-14 US disclosed
US-20160057998-A1 ANTIMICROBIAL MIXTURES OF AN ESSENTIAL OIL DERIVED BACTERICIDE AND AN ESSENTIAL OIL DERIVED FUNGICIDE WHICH EXTEND THE SHELF-LIFE OF PERISHABLE AGRICULTURAL COMMODITIES VERSEA HEALTH, INC. 2016-03-03 US disclosed