SCHEMBL29140520

SCHEMBL29140520

CCCCCCOc1cccc(OCCCCCC)c1-c1cc2cc3nc(c(C#Cc4ccc(N)cc4)c4ccc(cc5nc(c(C#Cc6ccc(C(=O)O)cc6)c1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PLA2G4B P0C869 3/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ RARB P10826 3/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ PLA2G4A P47712 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
SCHEMBL29140522 0.88 IKBKB (0.32) —
SCHEMBL30733436 0.83 TOP1 (0.39) ALDH1A1HPGDTP53TSHRPLA2G4B
SCHEMBL30733249 0.79 TOP1 (0.43) ALDH1A1HPGDTP53TSHRPLA2G4B
SCHEMBL30733261 0.76 MCHR1 (0.38) TSHR
SCHEMBL29140523 0.74 PDE5A (0.37) —
SCHEMBL30469523 0.72 TP53 (0.38) ALDH1A1HPGDTP53TSHRPLA2G4B
SCHEMBL29367085 0.72 TOP1 (0.38) ALDH1A1TP53TSHRRARBPLA2G4A
SCHEMBL30733272 0.72 MCHR1 (0.35) —
SCHEMBL30733335 0.71 STAT3 (0.47) TSHR
SCHEMBL29140531 0.71 PDE5A (0.43) TSHR

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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