SCHEMBL28583832

SCHEMBL28583832

O=C(O)c1cc2ccccc2c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ WDR5 P61964 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.45

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
SCHEMBL27977392 0.78 MEN1 (0.56) GPR35POLBWDR5MEN1KMT2A
SCHEMBL11067214 0.78 POLB (0.61) GPR35POLBWDR5MEN1KMT2A
SCHEMBL21215587 0.77 WDR5 (0.51) GPR35POLBWDR5MEN1KMT2A
SCHEMBL12486124 0.76 MEN1 (0.57) GPR35POLBWDR5MEN1KMT2A
SCHEMBL28588381 0.75 PTPN1 (0.49) GPR35KDM4EALDH1A1HPGDLMNA
SCHEMBL28356334 0.74 NR4A1 (0.60) GPR35POLBWDR5MEN1KMT2A
SCHEMBL28288597 0.74 KDM4E (0.53) WDR5KDM4EALDH1A1HPGDNR4A1
SCHEMBL28583437 0.73 KDM4A (0.41) GPR35KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28589329 0.73 AKR1C2 (0.46) ALDH1A1DHODH
SCHEMBL28289980 0.73 MAP2 (0.50) KDM4EALDH1A1DHODH

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
CN-109665958-B Method for preparing polysubstituted 1-naphthoic acid compound under catalysis of ruthenium 广州大学 2021-05-11 — — CN disclosed
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