SCHEMBL3043989

SCHEMBL3043989

CC(CO)c1ccccc1C(C)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TRPA1 O75762 5/20 0.46
GABRA1 P14867 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.44
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 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
SCHEMBL593086 0.85 ESR1 (0.46) TSHRTRPA1GABRA1GABRG2GABRB3
SCHEMBL8567525 0.85 TSHR (0.72) TSHRTRPA1GABRA1GABRG2GABRB3
SCHEMBL6280772 0.85 TSHR (0.39) TSHRTRPA1GABRA1GABRG2GABRB3
SCHEMBL13879241 0.84 ADRB2 (0.50) TSHRTRPA1LMNACYP1A2CYP3A4
SCHEMBL8573119 0.84 TSHR (0.42) TSHRTRPA1GABRA1GABRG2GABRB3
SCHEMBL25009948 0.84 TSHR (0.42) TSHRTRPA1GABRA1GABRG2GABRB3
SCHEMBL11058455 0.84 CYP3A4 (0.44) TSHRTRPA1GABRA1GABRG2GABRB3
SCHEMBL2401582 0.84 HTT (0.46) TSHRTRPA1GABRA1GABRG2GABRB3
SCHEMBL8540894 0.84 ADRB2 (0.50) TSHRTRPA1LMNACYP1A2CYP3A4
SCHEMBL9519427 0.83 MEN1 (0.56) TSHRTRPA1LMNAHIF1ATAAR1

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
CN-109125789-A Adhesive composition, ventilative self-adhesive article, purposes of self-adhesive article and preparation method thereof 博斯蒂克股份公司 2019-01-04 CN disclosed
JP-2010143853-A METHOD FOR PRODUCING DIISOPROPENYLBENZENE SUMITOMO CHEMICAL CO LTD 2010-07-01 JP disclosed
JP-2010143854-A METHOD FOR PRODUCING HIGHLY PURE DIISOPROPENYLBENZENE SUMITOMO CHEMICAL CO LTD 2010-07-01 JP disclosed
JP-2005314269-A METHOD FOR JOINTLY PRODUCING DIHYDROXYBENZENE AND DIISOPROPENYLBENZENE SUMITOMO CHEMICAL CO LTD 2005-11-10 JP disclosed
JP-2005314270-A METHOD FOR PRODUCING DIISOPROPENYLBENZENE SUMITOMO CHEMICAL CO LTD 2005-11-10 JP disclosed
JP-2005314271-A METHOD FOR PRODUCING DIISOPROPENYLBENZENE SUMITOMO CHEMICAL CO LTD 2005-11-10 JP disclosed