SCHEMBL10945305

SCHEMBL10945305

COc1ccc(C2=C(OC(=O)c3ccc(SC)cc3)CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ ME2 P23368 1/20 0.38
▸ ME1 P48163 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
SCHEMBL7089298 0.70 CES2 (0.73) GSK3BMAPTCA1CA2ALDH1A1
SCHEMBL8392486 0.70 MAPT (0.61) MAPTCA1CA2ALDH1A1HPGD
SCHEMBL10900284 0.69 KMT2A (0.47) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14817293 0.68 LMNA (0.68) MAPTCA1CA2SMN1; SMN2KDM4E
SCHEMBL16604902 0.68 LMNA (0.68) MAPTCA1CA2SMN1; SMN2KDM4E
SCHEMBL13859676 0.68 LMNA (0.68) MAPTCA1CA2SMN1; SMN2KDM4E
SCHEMBL16146442 0.67 CYP1A1 (0.67) GSK3BMAPTCA1CA2SMN1; SMN2
SCHEMBL21033456 0.67 MAPT (0.60) MAPTCA1CA2SMN1; SMN2L3MBTL1
SCHEMBL18826167 0.66 SMN1; SMN2 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL21679403 0.66 MAPT (0.56) MAPTCA1CA2L3MBTL1ALDH1A1

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-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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