SCHEMBL28077328

SCHEMBL28077328

Cc1cc(C)cc(-c2c(O)cccc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ELANE P08246 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
BRCA1 P38398 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 3/20 0.43
CNR1 P21554 5/20 0.43
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
SELL P14151 1/20 0.40
SELP P16109 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
Phosphoric Acid SCHEMBL27959757 0.90 CNR2 (0.46) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL2941045 0.86 TSHR (0.41) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL7785632 0.83 ACHE (0.43) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL31545510 0.81 TRPA1 (0.46) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL28059685 0.77 TSHR (0.56) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL9743370 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1USP2ELANE
SCHEMBL6400197 0.76 ESR1 (0.41) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL28077327 0.76 CNR2 (0.46) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL28547319 0.76 ALDH1A1 (0.42) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL20684759 0.75 ACHE (0.48) ALDH1A1CYP3A4TSHRACHECYP1A2

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
CN-105623137-B Thermoplastic resin composition and molded article produced therefrom LG化学株式会社 2018-06-08 CN disclosed
CN-104169350-B NOR HALS compounds as fire retardant 巴斯夫欧洲公司 2017-11-21 CN disclosed
CN-105623137-A Thermoplastic resin composition and molded article produced therefrom LG CHEMICAL LTD 2016-06-01 CN disclosed