SCHEMBL11328953

SCHEMBL11328953

CC(c1ccccc1)N(CCCCCC(=O)O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.44
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ TRPM8 Q7Z2W7 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ UTS2R Q9UKP6 2/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 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
SCHEMBL11327056 0.95 POLB (0.43) POLBLMNATSHRMAPK1HTT
SCHEMBL11324734 0.89 PDE6D (0.45) HDAC1
SCHEMBL11326306 0.87 CCKBR (0.41) HDAC6POLBLMNATSHRMAPK1
SCHEMBL11318737 0.85 TMEM97 (0.42) HDAC6LMNATSHRMAPK1HTT
SCHEMBL11320266 0.82 POLB (0.45) POLBLMNATSHRMAPK1HTT
SCHEMBL8029222 0.82 HDAC6 (0.51) HDAC6POLBLMNAHDAC3HDAC1
SCHEMBL11322274 0.81 ALOX5 (0.44) POLBLMNATSHRMAPK1HTT
SCHEMBL11224743 0.81 POLB (0.40) HDAC6POLBLMNATSHRMAPK1
SCHEMBL11326595 0.78 TRPM8 (0.47) NPSR1MAPK14TRPM8GPR139TBXAS1
SCHEMBL11312650 0.77 KIF11 (0.41) POLBLMNAALDH1A1SMN1; SMN2

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-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 — — US disclosed
US-4245059-A GOOD ADHESION TO COATINGS, SUSCEPTIBLE TO DECORATIVE FINISHES MITSUBISHI RAYON CO., LTD. (JP) 1981-01-13 — — US disclosed
US-3997627-A Polyester molding compositions containing hydroxy containing vinyl monomers and coated molded articles thereof MITSUBISHI RAYON CO., LTD. (JA) 1976-12-14 — — US disclosed
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