SCHEMBL8109468

SCHEMBL8109468

CCC(CC)N(O)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(O)C(CC)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 3/20 0.44
UBA2 Q9UBT2 3/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
NPY5R Q15761 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL7615446 0.94 SLC1A3 (0.51) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL8101940 0.92 NPY5R (0.44) TSHRPOLBMEN1KMT2ANPY5R
SCHEMBL7609572 0.84 RAB9A (0.53) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL8103580 0.84 NPY5R (0.56) HPGDNPY5RCRHBPCRHR2
SCHEMBL1573640 0.83 MEN1 (0.54) TSHRMEN1KMT2AMAPTNPY5R
SCHEMBL8107929 0.83 SAE1 (0.46) SAE1UBA2TSHRPOLBMEN1
SCHEMBL7612777 0.81 SLC1A3 (0.49) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7609578 0.81 NOX1 (0.48) MEN1LMNAKMT2AMAPT
SCHEMBL7613037 0.79 NPY5R (0.65) HPGDNPY5RCRHBPCRHR2
SCHEMBL7611231 0.79 GAA (0.64) POLBMEN1LMNAKMT2AHPGD

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
WO-1999028291-A1 BISHYDROXYUREAS AS INHIBITORS OF THE 5-LIPOXYGENASE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-10 WO claimed
US-6121323-A LIPOXYGENASE INHIBITOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-09-19 US disclosed
WO-1999028291-A1 BISHYDROXYUREAS AS INHIBITORS OF THE 5-LIPOXYGENASE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-10 WO disclosed