SCHEMBL11397194

SCHEMBL11397194

COc1ccc(Sc2sccc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDR P35968 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40

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
SCHEMBL11400326 0.83 EDNRA (0.52) POLBKDM4ETDP1L3MBTL1MAPK8
SCHEMBL11397647 0.83 ALDH1A1 (0.47) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11395207 0.80 RHEB (0.39) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11398653 0.80 HAO1 (0.42) RAB9AALDH1A1MEN1KMT2ATP53
SCHEMBL9825879 0.77 KMT2A (0.52) ALDH1A1KMT2ACA1CA2SMN1; SMN2
SCHEMBL11397466 0.76 ACMSD (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9828861 0.76 FBP1 (0.45) MEN1KMT2ACA1CA2KDR
SCHEMBL7076248 0.74 SMN1; SMN2 (0.54) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL9829539 0.74 FBP1 (0.44) NPC1RAB9AALDH1A1MEN1HTT
SCHEMBL9829325 0.74 ALDH1A1 (0.42) ALDH1A1CA1CA2KDRKDM4E

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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