SCHEMBL23439698

SCHEMBL23439698

Cc1cc2c(cc1Nc1ccc3c(c1)oc1c(C(C)(C)C)cccc13)C(C)(C)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP26A1 O43174 3/20 0.32
▸ CYP26B1 Q9NR63 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL23421687 0.82 SMN1; SMN2 (0.41) MEN1CYP2C19KMT2AALDH1A1LMNA
SCHEMBL23439365 0.80 CYP26A1 (0.32) ALDH1A1CYP26A1CYP26B1PTGS1PTGS2
SCHEMBL23438794 0.80 ALDH1A1 (0.36) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL23422190 0.80 CYP26A1 (0.38) ALDH1A1LMNAL3MBTL1CYP26A1CYP26B1
SCHEMBL23439313 0.76 ALDH1A1 (0.36) ALDH1A1LMNACYP26A1CYP26B1RXRA
SCHEMBL23439452 0.76 ALDH1A1 (0.43) MEN1CYP2C19KMT2AALDH1A1LMNA
SCHEMBL24562625 0.76 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL23439367 0.76 LMNA (0.35) ALDH1A1LMNARXRASMN1; SMN2
SCHEMBL22252767 0.76 ALDH1A1 (0.39) MEN1CYP2C19KMT2AALDH1A1LMNA
SCHEMBL23439057 0.74 CYP26A1 (0.39) MEN1CYP2C19KMT2AALDH1A1CYP26A1

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-2021107711-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
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