SCHEMBL706760

SCHEMBL706760

CCCCc1c(CCCC)c(CCCC)c2c(c1CCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1c(CCCC)c(CCCC)c(CCCC)c(CCCC)c21.[Cu]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
IDO1 P14902 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL7572887 0.94 HSD17B10 (0.41) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL7722134 0.94 HSD17B10 (0.41) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL7571534 0.94 HSD17B10 (0.41) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL6843066 0.94 HSD17B10 (0.49) HSD17B10KDM4ETSHRCYP1A2CYP3A4
Water SCHEMBL5058850 0.91 HSD17B10 (0.47) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL8958670 0.89 HSD17B10 (0.41) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL8958264 0.89 HSD17B10 (0.44) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL8958676 0.88 HSD17B10 (0.40) HSD17B10KDM4ETSHRCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5153564 0.87 HSD17B10 (0.43) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL8958281 0.87 HSD17B10 (0.43) HSD17B10KDM4ETSHRCYP1A2CYP3A4

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-8124443-B2 Organic diodes and materials MARROCCO MATTHEW L (US) 2012-02-28 US disclosed
US-20100112751-A1 ORGANIC DIODES AND MATERIALS MARROCCO III MATTHEW L 2010-05-06 US disclosed
US-7655961-B2 Organic diodes and materials MAXDEM INCORPORATED (US) 2010-02-02 US disclosed
WO-2005034199-A2 ORGANIC DIODES AND MATERIALS MAXDEM INCORPORATED (US) 2005-04-14 WO disclosed
US-20050072971-A1 Organic diodes and materials IPCO LLC 2005-04-07 US disclosed