SCHEMBL21596731

SCHEMBL21596731

CC(C)c1cccc(C(C)C)c1Oc1ccc(-c2[nH]cc(-c3ccccc3)c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
PDE10A Q9Y233 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM2 Q14416 3/20 0.37
NPSR1 Q6W5P4 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPARA Q07869 2/20 0.34
DYRK1A Q13627 1/20 0.34
PPARG P37231 1/20 0.34
GRM5 P41594 1/20 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
SCHEMBL21608897 0.82 PPARA (0.36) PPARADYRK1APPARG
SCHEMBL21596735 0.82 AR (0.36) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL21608938 0.79 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL21596734 0.70 PGR (0.43) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL11583313 0.69 LTA4H (0.46) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL17267238 0.68 ALDH1A1 (0.45) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL18800764 0.67 ERBB2 (0.43) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL2618362 0.67 MEN1 (0.44) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL28301867 0.67 ERBB2 (0.43) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL9684562 0.65 POLB (0.43) KMT2AALDH1A1MEN1MAPTPDE10A

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-112292436-B Extruded PET film with light stable dye for color conversion 巴斯夫欧洲公司 2024-12-10 CN disclosed
EP-3810720-B1 EXTRUDED PET FILMS WITH PHOTOSTABLE DYES FOR COLOR CONVERSION BASF SE (DE) 2022-08-10 EP disclosed
EP-3810720-A1 EXTRUDED PET FILMS WITH PHOTOSTABLE DYES FOR COLOR CONVERSION BASF SE (DE) 2021-04-28 EP disclosed
CN-112292436-A Extruded PET film with light stable dyes for color conversion 巴斯夫欧洲公司 2021-01-29 CN disclosed
WO-2019243288-A1 EXTRUDED PET FILMS WITH PHOTOSTABLE DYES FOR COLOR CONVERSION BASF SE (DE) 2019-12-26 WO disclosed
WO-2019243288-A1 EXTRUDED PET FILMS WITH PHOTOSTABLE DYES FOR COLOR CONVERSION BASF SE (DE) 2019-12-26 WO disclosed