SCHEMBL2334095

SCHEMBL2334095

C=C(OC(C)(C)CC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 2/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 3/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HTR1A P08908 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
PRSS1 P07477 2/20 0.33

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
SCHEMBL27834871 0.81 CES2 (0.39) CES2CES1PRSS1CTSGCTRB1
SCHEMBL27834868 0.80 CYP2D6 (0.39) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
SCHEMBL20364486 0.79 TDP1 (0.44) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
SCHEMBL9302864 0.79 TDP1 (0.53) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
SCHEMBL27834873 0.78 ALDH1A1 (0.40) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
Hydrogen Peroxide SCHEMBL28730771 0.77 CYP2D6 (0.61) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
SCHEMBL444728 0.77 CYP2D6 (0.61) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
SCHEMBL21841092 0.76 ALDH1A1 (0.50) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
Water SCHEMBL5946543 0.76 CYP2D6 (0.59) CYP2D6CYP2C19CYP1A2ALDH1A1MAPT
SCHEMBL21841083 0.74 ALDH1A1 (0.47) CYP2C19ALDH1A1MAPTTDP1ATM

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
WO-2024020780-A1 STAR-SHAPED POLYMER, PAINT, COATING, AND METHOD FOR PRODUCING STAR-SHAPED POLYMER DIC CORPORATION (JP) 2024-02-01 WO disclosed
WO-2022236548-A1 STAR POLYMER, COATING MATERIAL, COATING FILM, AND METHOD FOR PRODUCING STAR POLYMER DIC CORPORATION (JP) 2022-11-17 WO disclosed
US-20180196367-A1 TONER AND METHOD OF PRODUCING TONER CANON KABUSHIKI KAISHA (JP) 2018-07-12 US disclosed
US-20180196367-A1 TONER AND METHOD OF PRODUCING TONER CANON KABUSHIKI KAISHA (JP) 2018-07-12 US disclosed
US-20110198730-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION 2011-08-18 US disclosed
US-20080160449-A1 Photoresist polymer having nano-smoothness and etching resistance, and resist composition LION CORPORATION (JP) 2008-07-03 US disclosed