SCHEMBL11278744

SCHEMBL11278744

NC(=O)CCCCOc1cccc2ccc(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
LTB4R Q15722 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36

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
SCHEMBL16409778 0.85 HDAC1 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL11282436 0.84 CYSLTR2 (0.44) MMP1MMP9MMP12CNR2PDE3B
SCHEMBL9820774 0.82 MCHR1 (0.49) CA12CA9HDAC6MEN1NR1I2
SCHEMBL10064553 0.80 MCHR1 (0.48) CA12CA9DRD2MMP1MMP9
SCHEMBL11267353 0.76 POLB (0.40) CA12CA9DRD2DRD4DRD3
SCHEMBL11858914 0.76 HTR1D (0.46) CA12CA9DRD2DRD4DRD3
SCHEMBL11272663 0.74 PDE3B (0.44) CA12CA9HDAC6MMP1KCNH2
SCHEMBL11287477 0.74 MCL1 (0.43) LMNAALBBCL2MCL1PDE3B
SCHEMBL1137647 0.74 CA12 (0.43) CA12CA9MEN1LMNAMAPT
SCHEMBL6849540 0.74 HTR1B (0.63) CNR2MCL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313947-A TREATMENT OF BLOOD DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-02-02 US disclosed
US-4216220-A Platelet aggregation inhibiting 2-oxyindoles, their compositions and method of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-08-05 US disclosed
US-4070470-A BENCYCLOAMIDE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-01-24 US disclosed