SCHEMBL6187748

SCHEMBL6187748

CC(=O)C(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.60
SRC P12931 1/20 0.56
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACP3 P15309 2/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
FFAR1 O14842 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL6380712 0.87 SRC (0.73) PTGS2SRCMAPTSMN1; SMN2CYP1A2
SCHEMBL3678814 0.87 SRC (0.73) PTGS2SRC
SCHEMBL7303581 0.87 SRC (0.73) PTGS2SRC
SCHEMBL1657158 0.82 SRC (0.58) PTGS2SRCCYP1A2GAACYP2C9
SCHEMBL9986143 0.80 SRC (0.67) PTGS2SRCCYP1A2GAACYP2C9
SCHEMBL2427033 0.79 SRC (0.48) SRCSMN1; SMN2FFAR1
SCHEMBL1312762 0.78 SRC (0.64) SRC
SCHEMBL22265095 0.78 BRD4 (0.57) SRCCYP1A2CYP2C9CYP2C19FFAR1
SCHEMBL7821350 0.78 SRC (0.46) SRCSMN1; SMN2FFAR1
SCHEMBL8672582 0.78 SRC (0.46) PTGS2SRCMAPTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979226-B1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMA (JP) 2005-11-09 EP disclosed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US disclosed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO disclosed