SCHEMBL24969651

SCHEMBL24969651

CC1(C)c2ccc(Nc3cccc4oc5ccccc5c34)cc2-c2c(-c3ccccc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ DUSP3 P51452 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
SCHEMBL24969210 0.93 AKR1C3 (0.32) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23372928 0.92 AKR1C3 (0.35) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21095299 0.88 ALDH1A1 (0.35) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL24969719 0.87 AKR1C3 (0.36) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23372604 0.84 ALDH1A1 (0.33) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL31690702 0.84 AKR1C3 (0.35) AKR1C3ALDH1A1MAPTEPHX2
SCHEMBL26687516 0.84 AKR1C3 (0.33) AKR1C3
SCHEMBL19170359 0.83 ALDH1A1 (0.38) AKR1C3ALDH1A1HPGDRAB9ADUSP3
SCHEMBL38651607 0.83 ALDH1A1 (0.38) AKR1C3ALDH1A1HPGDRAB9ADUSP3
SCHEMBL30132948 0.83 ALDH1A1 (0.38) AKR1C3ALDH1A1HPGDRAB9ADUSP3

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
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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