SCHEMBL28289969

SCHEMBL28289969

Cc1cc(C(=O)O)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.44
▸ LDHA P00338 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ MYC P01106 1/20 0.41
▸ DHODH Q02127 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MCL1 Q07820 3/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ HNF4A P41235 3/20 0.39
▸ ACMSD Q8TDX5 2/20 0.39
▸ DHFR P00374 1/20 0.39
▸ FABP3 P05413 1/20 0.38
▸ RPA1 P27694 1/20 0.38

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
SCHEMBL6193196 0.81 FABP4 (0.47) FABP4LDHAALDH1A1MYCDHODH
SCHEMBL11667831 0.79 FABP4 (0.49) FABP4LDHAALDH1A1MYCDHODH
SCHEMBL3825797 0.77 FABP4 (0.48) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL28575871 0.75 KDM4E (0.49) FABP4LDHAALDH1A1DHODHKDM4E
SCHEMBL28415304 0.74 ALDH1A1 (0.45) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL28589329 0.73 AKR1C2 (0.46) FABP4ALDH1A1DHODHMCL1HNF4A
SCHEMBL28583832 0.73 GPR35 (0.47) LDHAALDH1A1DHODHKDM4EMEN1
SCHEMBL11586143 0.72 ALDH1A1 (0.47) FABP4LDHAALDH1A1MYCKMT2A
SCHEMBL30753447 0.72 ALDH1A1 (0.47) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL14784538 0.72 PTPN1 (0.53) LDHADHODHMCL1HNF4AACMSD

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-109665958-B Method for preparing polysubstituted 1-naphthoic acid compound under catalysis of ruthenium 广州大学 2021-05-11 — — CN disclosed
CN-109665958-A A kind of method that ruthenium catalysis prepares polysubstituted 1- naphthoic acid class compound 广州大学 2019-04-23 — — CN disclosed
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