SCHEMBL11143856

SCHEMBL11143856

CCCS(=O)(=O)c1ccc(O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ APP P05067 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL11144993 0.78 SOAT1 (0.48) MAOBBACE1LMNAPOLBCYP3A4
SCHEMBL3123874 0.78 MAOB (0.53) MAOBAPPHSP90AA1HSP90AB1KMT2A
SCHEMBL4072806 0.78 MAOB (0.53) MAOBAPPHSP90AA1HSP90AB1KMT2A
SCHEMBL27844647 0.76 MAOB (0.52) MAOBAPPHSP90AA1HSP90AB1KMT2A
SCHEMBL27938722 0.76 MAOB (0.52) MAOBAPPHSP90AA1HSP90AB1KMT2A
SCHEMBL11858775 0.75 ALDH1A1 (0.45) KMT2AMEN1ESR1ESR2SMN1; SMN2
SCHEMBL11140481 0.75 MAOB (0.46) MAOBAPPBACE1ESR1KDM4E
SCHEMBL3459879 0.73 HSD17B10 (0.41) KMT2AMEN1ESR1KDM4ELMNA
SCHEMBL11853377 0.73 HSD17B10 (0.41) KMT2AESR1SMN1; SMN2LMNAHPGD
Butane SCHEMBL28137923 0.73 MAOB (0.83) MAOBAPPKMT2AMEN1BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4404220-A INSECTIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-13 — — US disclosed
US-4299772-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1981-11-10 — — US disclosed
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