SCHEMBL24031899

SCHEMBL24031899

C1=Cc2c(oc3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c5ccccc45)cc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ AHR P35869 2/20 0.35
▸ PLA2G2A P14555 3/20 0.34
▸ PLA2G4A P47712 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ CHEK2 O96017 1/20 0.31

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
SCHEMBL26010105 0.99 MAPT (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL179184 0.92 PLA2G2A (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1755425 0.91 PLA2G2A (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL25784973 0.90 PLA2G2A (0.42) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL15889121 0.90 MAPT (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL21426315 0.88 PLA2G2A (0.44) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL14052191 0.88 MAOA (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL26753530 0.88 GABRP (0.39) PLA2G2APLA2G4A
SCHEMBL10072123 0.88 PLA2G2A (0.44) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL179189 0.87 PLA2G2A (0.34) MAPTMEN1KMT2AALDH1A1HPGD

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-2021230133-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2021-11-18 — — WO disclosed
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