SCHEMBL29140532

SCHEMBL29140532

CCCCCCOc1cccc(OCCCCCC)c1C1=CC2=CC3=NC(=C(C#Cc4ccc(N)cc4)C4=NC(=CC5=NC(=C(C#Cc6ccc(C(=O)O)cc6)C1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PLA2G4B P0C869 5/20 0.33
▸ RARB P10826 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ PLA2G4A P47712 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL29140524 0.88 — —
SCHEMBL29140526 0.73 MCHR1 (0.31) —
SCHEMBL29140533 0.70 MCHR1 (0.38) TSHRPLA2G4BMAPT
SCHEMBL30733436 0.65 TOP1 (0.39) TP53TSHRPLA2G4BRARBALDH1A1
Methacrylic Acid SCHEMBL28801318 0.62 KDM4E (0.37) PLA2G4BALDH1A1PTPN11MAPT
Iodide SCHEMBL2313827 0.61 PDE5A (0.38) PTPN11MAPT
SCHEMBL9647287 0.61 RARB (0.59) TP53TSHRPLA2G4BRARBALDH1A1
SCHEMBL9647259 0.61 TP53 (0.85) TP53TSHRPLA2G4BRARBPTPN11
SCHEMBL6539348 0.60 TP53 (0.82) TP53TSHRPLA2G4BRARBPTPN11
SCHEMBL29140525 0.60 RARB (0.38) TP53TSHRRARBPTPN11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN claimed
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN disclosed
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