SCHEMBL11487550

SCHEMBL11487550

CCN(CC)Cc1ccc2cc(C(=O)O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.52
▸ DRD4 P21917 1/20 0.48
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ PIM1 P11309 4/20 0.46
▸ CSNK2A1 P68400 3/20 0.46
▸ CSNK2A2 P19784 2/20 0.46
▸ CSNK2B P67870 2/20 0.46
▸ CSNK2A3 Q8NEV1 2/20 0.46
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SLC16A3 O15427 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
SCHEMBL10965123 0.83 KDM4E (0.48) DRD4HDAC8HDAC6HDAC3HDAC1
SCHEMBL11746320 0.83 TBXAS1 (0.55) TBXAS1LMNATP53PTGER2PIM1
SCHEMBL28246550 0.83 TBXAS1 (0.55) TBXAS1LMNATP53PTGER2PIM1
SCHEMBL16901848 0.80 TBXAS1 (0.52) TBXAS1HDAC3HDAC1HDAC2LMNA
SCHEMBL10968431 0.78 HDAC6 (0.54) DRD4HDAC8HDAC6HDAC3HDAC1
SCHEMBL5599540 0.78 ALDH1A1 (0.68) LMNATP53HPGDALDH1A1KDM4E
SCHEMBL7545069 0.77 DRD4 (0.68) DRD4ALDH1A1KDM4EGLAL3MBTL1
SCHEMBL22601122 0.77 SLC16A3 (0.53) TBXAS1LMNATP53PIM1CSNK2A1
SCHEMBL23512544 0.75 LMNA (0.48) TBXAS1LMNATP53PIM1CSNK2A1
SCHEMBL11493953 0.74 LMNA (0.66) TBXAS1LMNATP53PIM1CSNK2A1

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-4238487-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-12-09 — — US disclosed
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