SCHEMBL28914795

SCHEMBL28914795

COc1cc(C(=O)O)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.48
▸ FABP3 P05413 2/20 0.46
▸ FABP4 P15090 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ AR P10275 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41

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
SCHEMBL27783382 0.82 FABP3 (0.53) CDC25BFABP3FABP4SMN1; SMN2KDM4E
SCHEMBL28575871 0.80 KDM4E (0.49) FABP3FABP4KDM4EALDH1A1HPGD
SCHEMBL28588381 0.80 PTPN1 (0.49) CDC25BSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL28583437 0.78 KDM4A (0.41) CDC25BSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL28289980 0.78 MAP2 (0.50) FABP3FABP4KDM4EALDH1A1FABP5
SCHEMBL28654877 0.75 ADORA3 (0.52) FABP3FABP4SMN1; SMN2KDM4EALDH1A1
SCHEMBL28588384 0.73 ALDH1A1 (0.43) FABP4KDM4EALDH1A1HPGDPOLB
SCHEMBL28288597 0.73 KDM4E (0.53) CDC25BFABP3FABP4SMN1; SMN2KDM4E
SCHEMBL28576792 0.72 MAPT (0.53) SMN1; SMN2ALDH1A1HPGDPOLBGAA
SCHEMBL17733182 0.71 FABP3 (0.47) FABP3FABP4SMN1; SMN2KDM4EALDH1A1

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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