SCHEMBL11400326

SCHEMBL11400326

COc1cccc(Sc2sccc2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ EDNRB P24530 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ P4HB P07237 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ TUBB4A P04350 3/20 0.41
▸ TUBB P07437 3/20 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
SCHEMBL11397194 0.83 NPC1 (0.46) KDM4EPOLBTDP1L3MBTL1AKR1C3
SCHEMBL11397431 0.82 MEN1 (0.47) POLBTDP1AKR1C2NOTUMCSNK2A1
SCHEMBL11399691 0.79 MEN1 (0.47) NOTUMCSNK2A2CSNK2BCSNK2A1MAPK8
SCHEMBL11395038 0.79 EPHX1 (0.40) KDM4ENOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL11397466 0.77 ACMSD (0.42) KDM4EDHODHCSNK2A2CSNK2BCSNK2A1
SCHEMBL5030912 0.76 EDNRA (0.55) EDNRAKDM4EPOLBHSP90AA1MTNR1A
SCHEMBL30407941 0.76 EDNRA (0.52) EDNRAKDM4EPOLBHSP90AA1MTNR1A
SCHEMBL11402993 0.76 MEN1 (0.43) KDM4EPOLBL3MBTL1NOTUMMAPK8
SCHEMBL7078258 0.74 DHODH (0.54) KDM4EPOLBTDP1L3MBTL1DHODH
SCHEMBL11401949 0.73 EDNRA (0.50) EDNRAKDM4EPOLBHSP90AA1MTNR1A

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
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 — — US disclosed
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