SCHEMBL19986031

SCHEMBL19986031

c1cc(-c2cc3ccccc3c3ccccc23)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5oc4c32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.33
ALOX5 P09917 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
GAPDH P04406 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL19986049 0.91 ALOX5 (0.34) ALDH1A1HPGDHSD17B10L3MBTL1ALOX5
SCHEMBL19986055 0.89 TDP1 (0.34) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL19986023 0.89 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19986089 0.89 ALOX5 (0.36) ALDH1A1TSHRHSD17B10ALOX5RXFP1
SCHEMBL19986021 0.88 TDP1 (0.32) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL19986069 0.88 ALOX5 (0.45) ALDH1A1ALOX5RXFP1LMNAPPARG
SCHEMBL19986057 0.88 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10L3MBTL1RXFP1
SCHEMBL19986051 0.87 HSD17B1 (0.33) ALDH1A1L3MBTL1ALOX5RXFP1LMNA
SCHEMBL19986008 0.86 PLA2G2A (0.35) ALDH1A1TSHRHSD17B10L3MBTL1RXFP1
SCHEMBL19986025 0.86 PLA2G2A (0.35) ALDH1A1TSHRHSD17B10L3MBTL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed