SCHEMBL8499072

SCHEMBL8499072

CCCCOCc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
NAAA Q02083 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
LTA4H P09960 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL13681215 0.89 TSHR (0.45) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL13681258 0.89 TSHR (0.45) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL317686 0.85 TSHR (0.58) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL27961981 0.83 TSHR (0.56) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL29098435 0.83 TSHR (0.56) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL12677697 0.83 TSHR (0.61) L3MBTL1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL647523 0.83 L3MBTL1 (0.49) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL10002245 0.83 TDP1 (0.42) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL13910183 0.82 L3MBTL1 (0.46) L3MBTL1TDP1NAAAALDH1A1TSHR
SCHEMBL4197823 0.82 L3MBTL1 (0.46) L3MBTL1TDP1NAAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919608-A EXPOSING TO ELECTROMAGNETIC RADIATION A COMPOSITION COMPRISING CATIONIC ELECTRON ACCEPTOR, SENSITIZING DYE, AND SUPERSENSITIZER POLAROID CORPORATION (US) 1999-07-06 US disclosed