SCHEMBL15977436

SCHEMBL15977436

c1ccc(-c2ccc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
HPGDS O60760 1/20 0.43
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
LDHA P00338 1/20 0.40
DHODH Q02127 1/20 0.40
PLAU P00749 1/20 0.38
MAP4K4 O95819 1/20 0.37
MTOR P42345 1/20 0.36
AXL P30530 1/20 0.36
CDK8 P49336 1/20 0.36
TNIK Q9UKE5 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
PSMB5 P28074 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL15977479 1.00 HSD17B1 (0.46) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL10300969 0.98 HSD17B1 (0.47) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL10300968 0.98 HSD17B1 (0.47) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL10300971 0.97 HSD17B1 (0.49) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL12345161 0.95 HSD17B1 (0.47) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL12345152 0.95 HPGDS (0.44) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL10300887 0.95 HSD17B1 (0.47) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL12345164 0.93 HPGDS (0.45) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL14849145 0.90 HSD17B1 (0.49) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL14849143 0.90 HSD17B1 (0.47) HSD17B1HSD17B2HPGDSDHODHPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed