SCHEMBL24969749

SCHEMBL24969749

CC1(C)c2cc(-c3ccc(Nc4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)ccc2-c2c(-c3ccccc3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.34
▸ PDK2 Q15119 3/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ PLA2G2A P14555 2/20 0.31
▸ PLA2G4A P47712 2/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL24969750 0.89 ALOX5 (0.41) EPHX2PDK2PLA2G2APLA2G4AALDH1A1
SCHEMBL24969213 0.89 HSP90AA1 (0.35) EPHX2PDK2MMP13PLA2G2APLA2G4A
SCHEMBL24969666 0.87 PDK2 (0.40) PDK2RAB9ALMNAL3MBTL1MEN1
SCHEMBL24969745 0.87 PDK2 (0.40) PDK2RAB9ALMNAL3MBTL1MEN1
SCHEMBL24969721 0.85 PLA2G2A (0.33) PDK2PLA2G2APLA2G4A
SCHEMBL23372568 0.85 PDK2 (0.38) EPHX2PDK2ALDH1A1HPGDRAB9A
SCHEMBL23372928 0.84 AKR1C3 (0.35) EPHX2PDK2AKR1C3ALDH1A1HPGD
SCHEMBL19039169 0.82 TERT (0.32) PLA2G2APLA2G4AALDH1A1HPGDRAB9A
SCHEMBL24969648 0.82 PDK2 (0.43) PDK2ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL23372699 0.82 PDK2 (0.36) EPHX2PDK2ALDH1A1HPGDRAB9A

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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