SCHEMBL6232940

SCHEMBL6232940

CCCc1c(C)ccc(C(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GABRA1 P14867 3/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2B P41595 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PTGS1 P23219 2/20 0.42
GABRB2 P47870 2/20 0.42
HPGD P15428 2/20 0.42
FAAH O00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL6661835 0.91 HPGD (0.41) LMNAGABRA1SLC6A2HTR2BGABRG2
SCHEMBL6229368 0.85 GABRA1 (0.38) LMNAGABRA1SLC6A2HTR2BGABRG2
SCHEMBL27574690 0.85 GABRA1 (0.45) LMNAGABRA1SLC6A2HTR2BGABRG2
SCHEMBL8172436 0.82 GABRA1 (0.46) LMNAGABRA1SLC6A2HTR2BGABRG2
SCHEMBL10245691 0.81 GABRA1 (0.50) LMNAGABRA1SLC6A2HTR2BGABRG2
SCHEMBL6570826 0.81 LMNA (0.38) LMNAGABRA1SLC6A2HTR2BGABRG2
SCHEMBL2047097 0.80 NOS2 (0.44) HPGDCYP1A2CYP3A4TSHRTRPA1
SCHEMBL29521378 0.76 FFAR1 (0.39) LMNAGABRA1SLC6A2HTR2BGABRG2
SCHEMBL5681133 0.76 NOS2 (0.41) HPGDTRPA1NOS2LDHALDHB
SCHEMBL1494556 0.75 GABRA1 (0.56) LMNAGABRA1SLC6A2HTR2BGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053744-B1 Substituted phenols as fragrance, flavor and antimicrobial compounds TAKASAGO PERFUMERY CO LTD (JP) 2005-04-27 EP claimed
EP-1053744-A2 Substituted phenols as fragrance, flavor and antimicrobial compounds Takasago International Corporation (JP) 2000-11-22 EP claimed
US-6110888-A PHENOL SUBSTITUTED WITH ONE OF: PROPYL OR PROPENYL; ONE OF: HYDROGEN OR ALKYL; AND ONE TO THREE C3-C5 ALKYL GROUPS; FRAGRANCE AND ANTIMICROBIAL PROPERTIES; USE SUCH AS IN MOUTHWASHES TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-08-29 US claimed
EP-1053744-B1 Substituted phenols as fragrance, flavor and antimicrobial compounds TAKASAGO PERFUMERY CO LTD (JP) 2005-04-27 EP disclosed
EP-1053744-A2 Substituted phenols as fragrance, flavor and antimicrobial compounds Takasago International Corporation (JP) 2000-11-22 EP disclosed
US-6110888-A PHENOL SUBSTITUTED WITH ONE OF: PROPYL OR PROPENYL; ONE OF: HYDROGEN OR ALKYL; AND ONE TO THREE C3-C5 ALKYL GROUPS; FRAGRANCE AND ANTIMICROBIAL PROPERTIES; USE SUCH AS IN MOUTHWASHES TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-08-29 US disclosed