SCHEMBL11268890

SCHEMBL11268890

O=C(O)CCCCCCCN1C(=O)NCC1c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
PKM P14618 1/20 0.40
MTNR1A P48039 1/20 0.40
GAA P10253 1/20 0.39
PTGER4 P35408 3/20 0.39
PTGER2 P43116 2/20 0.39
TOP1 P11387 1/20 0.38

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
SCHEMBL11255623 0.83 GAA (0.51) FABP4FABP5GAAPTGER4PTGER2
SCHEMBL11255918 0.83 GAA (0.51) FABP4FABP5GAAPTGER4PTGER2
SCHEMBL11267080 0.83 GAA (0.51) FABP4FABP5GAAPTGER4PTGER2
SCHEMBL11258889 0.83 GAA (0.51) FABP4FABP5GAAPTGER4PTGER2
SCHEMBL11125775 0.82 GAA (0.50) FABP4FABP5GAAPTGER4PTGER2
SCHEMBL11246387 0.75 TSHR (0.45) GAAPTGER4PTGER2
SCHEMBL11259085 0.72 MEN1 (0.43) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432758 0.72 ITGB3 (0.47) GAA
SCHEMBL7829770 0.69 ATM (0.48)
SCHEMBL11256526 0.68 PDE4A (0.41) HDAC1GAA

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-4330550-A ANTICOAGULANTS AND ANALGESICS A. NATTERMANN & CIE. GMBH (DE) 1982-05-18 US claimed