SCHEMBL9749002

SCHEMBL9749002

CC(Nc1ccccc1C(=O)C1CCC(C(C)C)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 3/20 0.36
EPHX2 P34913 1/20 0.36
OPRL1 P41146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35

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
SCHEMBL1549947 0.77 LMNA (0.47) LMNATDP1CNR2ROCK2ROCK1
SCHEMBL1061793 0.77 AKR1C3 (0.46) LMNATDP1CNR2POLBMEN1
SCHEMBL1767596 0.77 AKR1C3 (0.46) LMNATDP1CNR2POLBMEN1
SCHEMBL5512525 0.75 KMT2A (0.51) LMNATDP1MEN1KMT2ASMN1; SMN2
SCHEMBL11121078 0.74 ELANE (0.44) LMNAOGFRL1
SCHEMBL27274109 0.72 KDM4E (0.47) POLBSMN1; SMN2
SCHEMBL10864406 0.71 KMT2A (0.55) KMT2APPARG
SCHEMBL2588918 0.71 KMT2A (0.55) KMT2APPARG
SCHEMBL28258003 0.71 ROCK2 (0.61) LMNATDP1ROCK2ROCK1MEN1
SCHEMBL10444427 0.70 HPGD (0.41) LMNATDP1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196222-B1 HYPOGLYCEMIC AGENT AJINOMOTO CO., INC. (JP) 1992-01-29 EP disclosed