SCHEMBL11314723

SCHEMBL11314723

Cc1cccc(C)c1N(CCCC(=O)NCCCC(=O)O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL11311686 0.90 PTGIR (0.41) SMN1; SMN2HDAC6ALDH1A1KDM4ENPSR1
SCHEMBL11314738 0.90 HSP90AA1 (0.42) SMN1; SMN2HDAC6KMT2AALDH1A1KDM4E
SCHEMBL11314690 0.89 HDAC6 (0.39) SMN1; SMN2HDAC6ALDH1A1KDM4ENPSR1
SCHEMBL11321942 0.85 PTGIR (0.39) SMN1; SMN2HDAC6ALDH1A1KDM4ENPSR1
SCHEMBL11116763 0.85 HDAC6 (0.43) SMN1; SMN2HDAC6ALDH1A1KDM4ENPSR1
SCHEMBL11220562 0.85 HTT (0.44) SMN1; SMN2HDAC6KMT2AALDH1A1KDM4E
SCHEMBL11220495 0.82 NPSR1 (0.45) SMN1; SMN2HDAC6KMT2AALDH1A1KDM4E
SCHEMBL11325054 0.82 NPSR1 (0.39) SMN1; SMN2HDAC6KMT2AALDH1A1KDM4E
SCHEMBL11229708 0.81 GAA (0.45) HDAC6KMT2ANPSR1LMNAMEN1
SCHEMBL11326117 0.81 POLB (0.49) SMN1; SMN2KMT2AMAPTMEN1POLB

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 2 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 claimed
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
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