SCHEMBL4667150

SCHEMBL4667150

CC(C)(C)CC(C)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.37
KCNN4 O15554 4/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37
SHBG P04278 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 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
Hydrogen Peroxide SCHEMBL9456539 0.98 ALDH1A1 (0.46) ALDH1A1TAAR1ALOX15MAPK1CYP2C19
SCHEMBL18419705 0.80 TAAR1 (0.46) ALDH1A1TAAR1ALOX15MAPK1CYP2C19
SCHEMBL14477141 0.77 SHBG (0.63) ALDH1A1ESR1ESR2CYP3A4SHBG
SCHEMBL15580629 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1CYP2C19CYP3A4SHBG
SCHEMBL14527847 0.77 PSIP1 (0.43) ALDH1A1CYP2C19POLBMAPT
SCHEMBL42933 0.75 SHBG (0.60) ALDH1A1TAAR1ALOX15MAPK1CYP2C19
SCHEMBL3698481 0.74 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1ACYP3A4
SCHEMBL474982 0.74 TAAR1 (0.50) ALDH1A1TAAR1ALOX15MAPK1CYP2C19
SCHEMBL2270630 0.73 TAAR1 (0.56) ALDH1A1TAAR1ALOX15MAPK1CYP2C19
SCHEMBL23511279 0.71 ALDH1A1 (0.46) ALDH1A1TAAR1ALOX15MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486519-B1 PREPARATION METHOD OF FUNCTIONAL MASTERBATCH OF POLYOLEFIN AND ITS APPLICATION SHANGHAI SUJIE SCIENCE TECH CO (CN) 2008-07-09 EP claimed
WO-2023162552-A1 CHEMICALLY AMPLIFIED POSITIVE PHOTOSENSITIVE COMPOSITION, PRODUCTION METHOD FOR SUBSTRATE WITH TEMPLATE, AND PRODUCTION METHOD FOR PLATED ARTICLE 東京応化工業株式会社 2023-08-31 WO disclosed