SCHEMBL2556501

SCHEMBL2556501

O=CC=CC=Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.48
TRPA1 O75762 1/20 0.48
LMNA P02545 1/20 0.48
ALOX5 P09917 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL2556498 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL431858 0.91 ALDH1A1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL431859 0.91 ALDH1A1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27976097 0.88 ALDH1A1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18417175 0.88 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2622607 0.85 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11451994 0.85 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8921607 0.84 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15759529 0.79 MAOB (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2558475 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-5332857-A 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1994-07-26 US disclosed