SCHEMBL28955000

SCHEMBL28955000

Cc1ccc(-c2ccc(SC3CCC3C(=O)O)s2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.34
▸ LTC4S Q16873 4/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CCR2 P41597 1/20 0.30
▸ HTR2C P28335 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
SCHEMBL28856487 0.86 GRM2 (0.31) —
SCHEMBL28856553 0.86 SLC22A12 (0.31) SLC22A12
SCHEMBL28856479 0.86 MAPT (0.34) MAPTALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL28856551 0.85 SLC22A12 (0.31) SLC22A12
SCHEMBL28856504 0.85 SLC22A12 (0.33) SLC22A12CYP1A2
SCHEMBL28856517 0.83 SLC22A12 (0.43) SLC22A12
SCHEMBL28856496 0.81 CA12 (0.39) SLC22A12MAPTLMNAMAPK1KMT2A
SCHEMBL28856516 0.79 KDM4E (0.33) SLC22A12ALDH1A1KDM4ECYP1A2
SCHEMBL28856521 0.78 SLC22A12 (0.33) SLC22A12CYP1A2
SCHEMBL28856544 0.76 MAPT (0.34) MAPTALDH1A1KDM4EKMT2ACYP1A2

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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