SCHEMBL29938771

SCHEMBL29938771

CC(C(=O)OCCCCO[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.87
PTGS1 P23219 7/20 0.87
MAPT P10636 2/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CXCL8 P10145 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
CA12 O43570 3/20 0.47

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
SCHEMBL5605782 1.00 PTGS2 (0.87) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5604953 0.99 PTGS2 (0.85) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL6375235 0.98 PTGS2 (0.87) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5604980 0.98 PTGS2 (0.87) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL13730902 0.90 PTGS2 (0.93) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL3043548 0.90 PTGS2 (0.69) PTGS2PTGS1CA12CA1CA2
SCHEMBL12103290 0.88 PTGS2 (0.82) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL13109318 0.84 PTGS2 (0.65) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL13109325 0.83 PTGS2 (0.64) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5494432 0.83 PTGS2 (0.74) PTGS2PTGS1MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180507-B Ketoprofen hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2022-10-21 CN claimed
CN-109180507-B Ketoprofen hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2022-10-21 CN disclosed