SCHEMBL18744153

SCHEMBL18744153

CCCCCCCCC(CCCCCC)C(=O)Nc1cc(OC=O)cc(OC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HDAC8 Q9BY41 5/20 0.43
HDAC3 O15379 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL18744150 1.00 LMNA (0.44) LMNAHDAC8HDAC3HDAC6HDAC1
SCHEMBL18744145 0.99 LMNA (0.46) LMNAHDAC8HDAC3HDAC6HDAC1
SCHEMBL18744149 0.97 LMNA (0.44) LMNAHDAC8HDAC3HDAC6HDAC1
SCHEMBL15036507 0.92 HSD17B10 (0.41) LMNAHDAC8HDAC3HDAC6HDAC1
SCHEMBL15036505 0.88 HSD17B10 (0.43) KMT2ACA1CA2CA7CA14
SCHEMBL15036517 0.88 HSD17B10 (0.43) KMT2ACA1CA2CA7CA14
SCHEMBL15036512 0.88 HSD17B10 (0.43) KMT2ACA1CA2CA7CA14
SCHEMBL15042619 0.88 HSD17B10 (0.43) KMT2ACA1CA2CA7CA14
SCHEMBL15036506 0.83 HSD17B10 (0.45) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL12031710 0.81 CNR1 (0.46) LMNAHDAC8HDAC3HDAC6HDAC1

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-9623345-B2 Phase selective gelation with alkylated aromatic acid compounds XEROX CORPORATION (US) 2017-04-18 US disclosed