SCHEMBL14417358

SCHEMBL14417358

Oc1ccc(-c2ccccc2)c2cc(-c3ccccc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.61
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
ESR2 Q92731 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
LCK P06239 1/20 0.49

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
SCHEMBL14417401 0.88 IDO1 (0.59) ALOX5HSD17B1HSD17B2ESR2ALDH1A1
SCHEMBL11425082 0.88 ALOX5 (0.64) ALOX5HSD17B1HSD17B2ESR2ALDH1A1
SCHEMBL1889602 0.83 IDO1 (0.65) ALOX5HSD17B1HSD17B2ESR2ALDH1A1
SCHEMBL20169577 0.83 HSD17B1 (0.51) ALOX5HSD17B1HSD17B2ESR2ALDH1A1
SCHEMBL14417382 0.83 COMT (0.49) ALOX5HSD17B1HSD17B2ESR2BACE1
SCHEMBL1894082 0.80 IDO1 (0.54) ALOX5HSD17B1HSD17B2ESR2ALDH1A1
SCHEMBL17164057 0.79 BACE1 (0.54) ALOX5HSD17B1HSD17B2ESR2ALDH1A1
SCHEMBL8925401 0.79 ALOX5 (0.53) ALOX5HSD17B1HSD17B2ESR2ALDH1A1
SCHEMBL31462879 0.79 ALDH1A1 (0.48) ALOX5ALDH1A1HPGDHSD17B10MEN1
SCHEMBL1005885 0.79 ALOX5 (0.70) ALOX5ESR2ALDH1A1HPGDHSD17B10

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-20070212569-A1 ORGANOMETALLIC COMPLEX FOR ORGANIC LIGHT-EMITTING LAYER AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME SFC CO., LTD. (KR) 2007-09-13 US disclosed