SCHEMBL3056384

SCHEMBL3056384

C=Cc1ccc2c(c1)Sc1ccccc1O2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.34
AHR P35869 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL10513552 0.90 ALDH1A1 (0.38) ALDH1A1MAPTPKMTSHRTP53
SCHEMBL11557550 0.83 ALDH1A1 (0.41) ALDH1A1AHRTDP1ALOX5
SCHEMBL10512849 0.77 AHR (0.48) ALDH1A1TSHRAHRTP53TDP1
SCHEMBL3066960 0.77 ALDH1A1 (0.44) ALDH1A1MAPTPKMTSHRTP53
Phenoxathiine SCHEMBL29396568 0.77 MAOA (0.42) MAPTAHRTDP1ATMALOX5
Phenoxathiine SCHEMBL29373698 0.77 MAOA (0.42) MAPTAHRTDP1ATMALOX5
Phenoxathiine SCHEMBL7922 0.77 MAOA (0.42) MAPTAHRTDP1ATMALOX5
Phenoxathiine SCHEMBL5699627 0.74 MAOA (0.40) MAPTAHRTDP1ATMALOX5
Phenoxathiine SCHEMBL5970725 0.74 MAOA (0.40) MAPTAHRTDP1ATMALOX5
SCHEMBL19205828 0.74 AHR (0.41) MAPTAHRTDP1ATMALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100221646-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-02 US claimed
US-20100221646-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-02 US disclosed
US-20020058206-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2002-05-16 US disclosed
EP-1193556-A1 Positive resist composition Fuji Photo Film Co., Ltd. (JP) 2002-04-03 EP disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed