SCHEMBL28049538

SCHEMBL28049538

CC(C)Cc1cc(C(C)(C)C)c(-c2ccc(O)cc2)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.38
LMNA P02545 3/20 0.38
TYR P14679 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
HSPA5 P11021 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL28145382 0.83 HSPA5 (0.51) LMNATYRALDH1A1NR1I2CYP2C9
SCHEMBL28075203 0.81 ALDH1A1 (0.41) LMNATYRALDH1A1NR1I2CYP2C9
SCHEMBL28878348 0.79 HSPA5 (0.40) LMNATYRALDH1A1NR1I2CYP2C9
SCHEMBL7858676 0.79 TYR (0.54) LMNATYRALDH1A1NR1I2CYP2C9
SCHEMBL28093151 0.78 GABRA1 (0.53) GABRA1GABRB2TAAR1SLC6A2ESR1
SCHEMBL27283275 0.78 CYP1A2 (0.44) LMNATYRALDH1A1NR1I2CYP2C9
Phenol SCHEMBL808474 0.77 GAA (0.50) HMGCRLMNATYRALDH1A1CYP2C9
SCHEMBL39082 0.77 HMGCR (0.57) HMGCRLMNATYRALDH1A1CYP2C9
SCHEMBL28071613 0.76 PTGS2 (0.46) LMNATYRALDH1A1HTTHSD17B10
SCHEMBL27526925 0.75 ALDH1A1 (0.54) LMNATYRALDH1A1NR1I2CYP2C9

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-106800671-A Solid phosphorous acid alkyl aryl ester composition and preparation method thereof 爱迪文特瑞士有限公司 2017-06-06 CN disclosed
CN-104271654-B polyamide composition with improved optical properties 巴斯夫欧洲公司 2016-10-19 CN disclosed
CN-101600822-B Multifilament, monofilament, adhesive-bonded fabric or band CIBA HOLDING INC. (CH) 2016-05-25 CN disclosed