SCHEMBL6158083

SCHEMBL6158083

CC(C)C(C(=O)O)N1C(=O)C2C3C=CC(CC3)C2C1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14828741 0.81 MEN1 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL8136050 0.77 MEN1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL13532539 0.77 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL14074603 0.77 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL7804741 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1POLBLMNAKDM4E
SCHEMBL7802817 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1POLBLMNAKDM4E
SCHEMBL14827641 0.74 MEN1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL15679077 0.73 MEN1 (0.73) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL12948551 0.72 SMN1; SMN2 (0.63) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL16508660 0.70 MEN1 (0.73) KMT2AMEN1SMN1; SMN2ALDH1A1POLB

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
EP-0948563-B1 MODIFYING AGENTS FOR POLYOLEFINS MINNESOTA MINING & MFG (US) 2005-02-02 EP disclosed
US-6096811-A COMPOSITION COMPRISING POLYOLEFIN, ANTIOXIDANT, NUCLEATING OR CLARIFYING AGENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-08-01 US disclosed