SCHEMBL8041377

SCHEMBL8041377

CC(=O)Nc1ccc(CCC(O)(CC(=O)OCc2ccccc2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 2/20 0.44
PTPN1 P18031 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.41
NPR3 P17342 1/20 0.41
PPIA P62937 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7998707 0.91 POLB (0.48) KMT2AMEN1LMNARAB9AMAPT
SCHEMBL7635490 0.82 ALDH1A1 (0.43) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL7639674 0.82 ALDH1A1 (0.43) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL7636702 0.79 PPID (0.49) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL7636689 0.79 PPID (0.49) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL8014867 0.76 FFAR1 (0.50) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6303423 0.75 CA12 (0.41) ALDH1A1RAB9AMAPT
SCHEMBL8008244 0.73 FFAR1 (0.49) LMNA
SCHEMBL6302904 0.73 SLC13A5 (0.49) KMT2AMEN1LMNAALDH1A1CYP2C9
SCHEMBL6692391 0.73 SLC13A5 (0.49) KMT2AMEN1LMNAALDH1A1CYP2C9

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
WO-2000015625-A2 METHODS OF MAKING DIHYDROPYRONE HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed