SCHEMBL4728167

SCHEMBL4728167

CC(=O)N1Cc2ccc(C(=O)CCCCl)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.50
NOTUM Q6P988 2/20 0.46
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 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
SCHEMBL5766935 0.92 NOTUM (0.49) MCHR1NOTUMHDAC6HDAC8
SCHEMBL4858086 0.86 MCHR1 (0.61) MCHR1NOTUMHRH3
SCHEMBL5432297 0.84 MCHR1 (0.62) MCHR1HRH3CTNNB1WNT3A
SCHEMBL4850684 0.80 MCHR1 (0.61) MCHR1HRH3CTNNB1WNT3A
SCHEMBL11677470 0.77 RAB9A (0.53) MCHR1KDM4EL3MBTL1CTNNB1WNT3A
SCHEMBL7285536 0.77 NOTUM (0.60) NOTUMHDAC6HDAC8
SCHEMBL4730749 0.76 NOTUM (0.47) NOTUMHRH3
SCHEMBL7277193 0.76 NOTUM (0.58) NOTUMHDAC6HDAC8KDM4E
SCHEMBL14590639 0.74 HSD17B3 (0.57) NOTUMHDAC6HDAC8KDM4E
SCHEMBL16284194 0.74 NOTUM (0.60) NOTUM

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-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed