SCHEMBL28856495

SCHEMBL28856495

CCOC(=O)C1CCCC1Sc1ccc(-c2ccc(C3CC3)c3ccccc23)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ NR1D1 P20393 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ MAPK1 P28482 3/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ USP2 O75604 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
SCHEMBL28856536 0.94 CYP1A2 (0.35) ALOX5APFEN1ALDH1A1MAPTCYP1A2
SCHEMBL28856502 0.90 CYP1A2 (0.35) ALOX5APFEN1ALDH1A1MAPTCYP1A2
SCHEMBL28856516 0.85 KDM4E (0.33) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL28856479 0.83 MAPT (0.34) ALDH1A1MAPTCYP1A2TSHRCYP2C19
SCHEMBL28856544 0.82 MAPT (0.34) ALDH1A1MAPTCYP1A2TSHRCYP2C19
SCHEMBL28856511 0.82 CA1 (0.35) ALDH1A1MAPTCYP1A2TSHRCYP2C19
SCHEMBL28856526 0.80 MAPT (0.32) ALDH1A1MAPTCYP1A2TSHRCYP2C19
SCHEMBL28856542 0.79 ALDH1A1 (0.37) ALDH1A1MAPT
SCHEMBL28856504 0.79 SLC22A12 (0.33) CYP1A2CYP2C19
SCHEMBL28856521 0.77 SLC22A12 (0.33) CYP1A2CYP2C19

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-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 — — CN disclosed
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