SCHEMBL22705935

SCHEMBL22705935

c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5c5ccccc5p6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5p6-c5cccc(-c6ccc(-c7cc(-c8c9cccc(-c%10cccc%11c%12ccccc%12p(-c%12ccccc%12)c%10%11)c9cc9c(-c%10cccc%11c%12ccccc%12p(-c%12ccccc%12)c%10%11)cccc89)cc8ccccc78)cc6)c5)cccc34)cc3ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL22707883 0.90 ALDH1A1 (0.37) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL22707881 0.89 KDM4E (0.38) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL22705875 0.84 ALDH1A1 (0.33) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL22705879 0.83 KDM4E (0.32) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL22707121 0.81 — —
SCHEMBL22707122 0.80 — —
SCHEMBL22706663 0.79 HDAC4 (0.36) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL22707369 0.79 — —
SCHEMBL22707141 0.78 ALOX5 (0.34) ALDH1A1HPGD
SCHEMBL22707874 0.78 HDAC4 (0.34) HSD17B1HSD17B2KDM4EMEN1ALDH1A1

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 — — US disclosed
Send feedback