SCHEMBL5324147

SCHEMBL5324147

O=C(C=CC1=CCC(O)(NS(=O)(=O)c2ccccc2)C=C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MAOB P27338 2/20 0.38
PLIN1 O60240 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
TNFRSF1A P19438 1/20 0.38
ACHE P22303 1/20 0.38
RECQL P46063 1/20 0.38
PLIN5 Q00G26 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 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
SCHEMBL27840781 0.94 KMT2A (0.42) MAPTMAOBPLIN1LMNABCHE
SCHEMBL27821480 0.93 KMT2A (0.42) MAPTMAOBPLIN1LMNABCHE
SCHEMBL27869381 0.93 ALDH1A1 (0.43) MAPTLMNARECQLCYP1B1KDM4E
SCHEMBL3902404 0.91 PKM (0.38) MAPTHDAC4HDAC1HDAC3HDAC7
SCHEMBL3772640 0.90 MAOB (0.48) MAPTMAOBBCHECYP1B1P4HB
SCHEMBL27840910 0.90 POLB (0.38) MAOBLMNABCHECYP1B1HDAC4
SCHEMBL3891559 0.87 KAT6A (0.41) MAPTMAOBPLIN1LMNABCHE
SCHEMBL27840804 0.87 MAPT (0.35) MAPTMAOBPLIN1LMNABCHE
SCHEMBL28053743 0.87 MAPT (0.36) MAPTMAOBPLIN1LMNABCHE
SCHEMBL27840729 0.87 MAPT (0.47) MAPTMAOBLMNABCHECYP1B1

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
WO-2007114532-A1 NOVEL CHALCONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT, METHOD FOR PREPARATION AND USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2007-10-11 WO disclosed