SCHEMBL4451107

SCHEMBL4451107

[CH2]COC(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL1787314 0.84 TSHR (0.69) TSHRALDH1A1CYP3A4TDP1L3MBTL1
Propene SCHEMBL6062490 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4NPC1TDP1
Propene SCHEMBL6061491 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4NPC1TDP1
SCHEMBL28663865 0.81 ALDH1A1 (0.71) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL6061777 0.81 TSHR (0.54) TSHRALDH1A1CYP3A4NPC1TDP1
Benzene SCHEMBL27468891 0.81 TSHR (0.65) TSHRALDH1A1TDP1L3MBTL1HSD17B10
SCHEMBL6062473 0.81 TSHR (0.54) TSHRALDH1A1CYP3A4NPC1TDP1
SCHEMBL6061523 0.81 TSHR (0.54) TSHRALDH1A1CYP3A4NPC1TDP1
SCHEMBL11463319 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4NPC1TDP1
SCHEMBL28658395 0.80 ALDH1A1 (0.72) TSHRALDH1A1CYP3A4NPC1TDP1

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
US-20120298007-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2012-11-29 US disclosed
US-20090306361-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2009-12-10 US disclosed
US-4007158-A 9-AZA- 1,5-DIOXA-SPIRO (5,5) UNDECANES SANKYO COMPANY LIMITED (JA) 1977-02-08 US disclosed