SCHEMBL7711901

SCHEMBL7711901

COC(=O)CCCCSCCCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 3/20 0.40
STAT3 P40763 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL8779386 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL26639631 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL8779472 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL8427107 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL10412216 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL8779442 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL3464668 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL13446628 0.94 PSMD10 (0.47) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL7705776 0.87 PLA2G4B (0.44) PSMD10ALDH1A1KMT2ASTAT3RAB9A
SCHEMBL31615042 0.86 EPHX2 (0.42) PSMD10ALDH1A1KMT2ASTAT3RAB9A

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-6362352-B1 MEDICAL DIAGNOSIS DUKE UNIVERSITY 2002-03-26 US disclosed
WO-2000063216-A1 F-18-LABELED THIA FATTY ACIDS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2000-10-26 WO disclosed