SCHEMBL27414896

SCHEMBL27414896

CC(C#N)c1ccc(C(O)c2cccc(C(=O)c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.55
PTGS1 P23219 3/20 0.55
PTGS2 P35354 3/20 0.55
HPGD P15428 3/20 0.55
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
CYP3A4 P08684 2/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
PMP22 Q01453 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CXCL8 P10145 1/20 0.55
THPO P40225 1/20 0.55
HIF1A Q16665 1/20 0.55
HTT P42858 3/20 0.45

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
SCHEMBL687542 0.89 MAPT (0.64) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL15264145 0.84 MAPT (0.64) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL20696554 0.81 ATM (0.64) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL23018871 0.81 ATM (0.64) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL9474712 0.79 LMNA (0.53) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL9753175 0.78 TSHR (0.58) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL27300689 0.78 MAPT (0.50) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL2446964 0.76 ANPEP (0.50) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL687298 0.76 ANPEP (0.50) SMN1; SMN2MAPTLMNAALDH1A1PTGS1
SCHEMBL30789009 0.76 ANPEP (0.50) SMN1; SMN2MAPTLMNAALDH1A1PTGS1

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
CN-1115320-C Process for synthesizing ketoibuprofen UNIV FUDAN (CN) 2003-07-23 CN disclosed