SCHEMBL11090169

SCHEMBL11090169

CCOC(=O)CCCCCCC(NCCC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
LTA4H P09960 5/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL11091798 0.88 ALDH1A1 (0.46) LTA4HLMNAL3MBTL1HDAC3HDAC1
SCHEMBL11394852 0.87 HDAC1 (0.45) LMNAL3MBTL1HDAC1SMN1; SMN2HDAC8
SCHEMBL11092807 0.86 LTA4H (0.47) LTA4HLMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL11092108 0.85 HSD17B3 (0.46) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11089622 0.84 KMT2A (0.45) L3MBTL1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11401302 0.82 KMT2A (0.47) LMNAL3MBTL1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL11088734 0.80 KMT2A (0.42) LTA4HLMNAL3MBTL1HDAC3HDAC1
SCHEMBL11396997 0.80 ALDH1A1 (0.45) LTA4HALDH1A1SIRT2SIRT1CYP3A4
SCHEMBL11086177 0.80 LTA4H (0.54) LTA4HL3MBTL1HDAC1HDAC2ALDH1A1
SCHEMBL11131374 0.79 MAPT (0.47) LMNAL3MBTL1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed
EP-0001238-B1 HYDANTOIN DERIVATIVES, THEIR SYNTHESIS, PHARMACEUTICAL FORMULATIONS AND INTERMEDIATES IN THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1984-07-04 EP disclosed
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed