SCHEMBL8103580

SCHEMBL8103580

CCC(CC)N(O)C(=O)Nc1ccc(Oc2ccc(NC(=O)N(O)C(CC)CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.56
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
CRHBP P24387 1/20 0.48
RAB9A P51151 1/20 0.48
CRHR2 Q13324 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7613037 0.94 NPY5R (0.65) NPY5RALDH1A1HPGDNPC1CRHBP
SCHEMBL8101940 0.92 NPY5R (0.44) NPY5RGAANPC1RAB9ASMN1; SMN2
SCHEMBL8109468 0.84 SAE1 (0.44) NPY5RHPGDCRHBPCRHR2
SCHEMBL7609572 0.84 RAB9A (0.53) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL1573640 0.83 MEN1 (0.54) NPY5RALDH1A1GAANPC1RAB9A
SCHEMBL7610162 0.82 RAB9A (0.60) NPY5RALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7612429 0.82 MITF (0.56) NPY5RALDH1A1HPGDNPC1RAB9A
SCHEMBL7609578 0.81 NOX1 (0.48) ALDH1A1NPC1RAB9ACYP2C9CYP2C19
SCHEMBL7612777 0.81 SLC1A3 (0.49) NPY5RALDH1A1HPGDNPC1RAB9A
SCHEMBL7610722 0.80 RARB (0.52) GAAL3MBTL1

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