SCHEMBL2758482

SCHEMBL2758482

CCC(C)c1ccc(OC(C)OCCOCc2ccc3ccccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MAOB P27338 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TACR1 P25103 2/20 0.36
CASR P41180 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRB2 P07550 2/20 0.35
REN P00797 2/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL3326537 0.88 CYP1A2 (0.49) CYP1A2CYP2A6SLC1A3SLC1A2SLC1A1
SCHEMBL2758478 0.84 TDP1 (0.48) SLC7A5RAB9ANPC1KDM4EMAPK1
SCHEMBL2758488 0.84 SLC7A5 (0.41) SLC7A5CYP1A2CASR
SCHEMBL683642 0.84 SLC7A5 (0.37) SLC7A5HTR2ARAB9ANPC1TDP1
SCHEMBL2758480 0.81 SLC7A5 (0.37) SLC7A5SLC1A3SLC1A2SLC1A1TACR1
SCHEMBL14258895 0.80 ALDH1A1 (0.47) SLC7A5RAB9ANPC1TDP1HSP90AA1
SCHEMBL14118572 0.79 RAB9A (0.55) CYP1A2CYP2A6MAOBHTR2AHTR2C
SCHEMBL2758469 0.78 TRPM8 (0.40) TACR1
SCHEMBL2758490 0.78 CYP2D6 (0.38) SLC7A5CYP1A2CASRTDP1
SCHEMBL14252125 0.78 ALDH1A1 (0.46) SLC7A5RAB9ANPC1TDP1HSP90AA1

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-20120003585-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed