SCHEMBL9448847

SCHEMBL9448847

CCOP(=O)(Cc1ccccc1C(C)C(=O)O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ EGFR P00533 2/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL25410688 0.83 EGFR (0.40) MAPTMAPK1POLBEGFRNPSR1
SCHEMBL10348806 0.82 KMT2A (0.45) MAPTMAPK1POLBEGFRNPSR1
SCHEMBL702504 0.81 NPSR1 (0.47) MAPTMAPK1POLBEGFRNPSR1
SCHEMBL5035394 0.80 ACP3 (0.45) MAPK1PTGS2PTGS1CXCL8MMP1
SCHEMBL5112475 0.78 PTGS2 (0.46) MAPTMAPK1POLBPTGS2PTGS1
SCHEMBL5983552 0.78 PTGS2 (0.46) MAPTMAPK1POLBPTGS2PTGS1
SCHEMBL30222272 0.78 PTGS2 (0.46) MAPTMAPK1POLBPTGS2PTGS1
SCHEMBL6659343 0.78 EGFR (0.41) MAPTMAPK1POLBEGFRHTT
SCHEMBL9445932 0.77 NPSR1 (0.41) MAPTMAPK1POLBEGFRNPSR1
SCHEMBL915187 0.76 FOLH1 (0.45) MAPTMAPK1POLBHTTNPSR1

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
US-5242908-A Of dna and rna HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-07 — — US disclosed
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