SCHEMBL12414461

SCHEMBL12414461

c1ccc(-c2cc(-c3ccc(N4c5ccccc5CCc5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5CCc5ccccc54)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.46
HPGD P15428 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
PDE6D O43924 1/20 0.40
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CDK4 P11802 1/20 0.35

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
SCHEMBL14595498 1.00 HSD17B3 (0.46) HSD17B3HPGDFAAHMGLLADRA2A
SCHEMBL12414465 0.96 HPGD (0.42) HSD17B3HPGDFAAHMGLLADRA2A
SCHEMBL2208353 0.91 HPGD (0.46) HSD17B3HPGDFAAHMGLLADRA2A
SCHEMBL12414460 0.89 HSD17B3 (0.39) HSD17B3HPGDFAAHMGLLADRA2A
SCHEMBL12414459 0.85 ESR1 (0.42) HSD17B3HPGDPDE6DPOLBCYP11B1
SCHEMBL12992625 0.84 HPGD (0.50) HSD17B3HPGDADRA2AADRA2BADRA2C
SCHEMBL13623253 0.84 HSD17B3 (0.48) HSD17B3HPGDFAAHMGLLADRA2A
SCHEMBL2761349 0.83 HPGD (0.56) HSD17B3HPGDFAAHMGLLADRA2A
SCHEMBL31539481 0.83 HPGD (0.56) HSD17B3HPGDFAAHMGLLADRA2A
SCHEMBL25477396 0.83 ADRA2A (0.41) HSD17B3HPGDFAAHMGLLADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170098785-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 US disclosed
US-20170098785-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 US disclosed
US-9564607-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2017-02-07 US disclosed
US-9564607-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2017-02-07 US disclosed
US-20140239282-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239282-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-8753757-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2014-06-17 US disclosed
US-8753757-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2014-06-17 US disclosed
US-20110163660-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2011-07-07 US disclosed
US-20110163660-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2011-07-07 US disclosed
US-20070248841-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 US disclosed
US-20070248841-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 US disclosed
US-7226546-B2 Organic host material for an organic luminescence layer of a carbazole derivative with a glass-transition temperature of 110 degrees C., and a phosphorescent dopant; heat-resistance IDEMITSU KOSAN CO., LTD. (JP) 2007-06-05 US disclosed
US-7226546-B2 Organic host material for an organic luminescence layer of a carbazole derivative with a glass-transition temperature of 110 degrees C., and a phosphorescent dopant; heat-resistance IDEMITSU KOSAN CO., LTD. (JP) 2007-06-05 US disclosed