SCHEMBL9634286

SCHEMBL9634286

C=CCOc1cc(NC(=O)OCC)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NPC1 O15118 5/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPT P10636 4/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL10739254 0.85 TDP1 (0.54) RAB9ACYP1A2NPC1MAPTTSHR
SCHEMBL616188 0.79 TDP1 (0.56) RAB9AHPGDNPC1MAPTTSHR
SCHEMBL6599952 0.77 TSHR (0.56) HPGDNPC1TSHRGAATDP1
SCHEMBL8602686 0.76 RAB9A (0.70) RAB9AHPGDHSD17B10MAPK1CYP1A2
SCHEMBL10489910 0.76 RAB9A (0.55) RAB9AHPGDHSD17B10MAPK1CYP1A2
SCHEMBL4351664 0.76 GAA (0.59) RAB9AHPGDHSD17B10MAPK1CYP1A2
SCHEMBL615839 0.76 SMN1; SMN2 (0.42) RAB9ANPC1MAPTTSHRGAA
SCHEMBL4125735 0.76 TDP1 (0.56) RAB9ACYP1A2NPC1MAPTTSHR
SCHEMBL8655003 0.76 KMT2A (0.54) RAB9AHPGDHSD17B10MAPK1CYP1A2
SCHEMBL8592724 0.75 RAB9A (0.54) RAB9AHPGDHSD17B10MAPK1CYP1A2

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
EP-0127990-B1 FUNGICIDAL ANILINE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-06 EP disclosed