SCHEMBL7948014

SCHEMBL7948014

CC(=O)Oc1cc(C)ccc1C1(COC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MDM2 Q00987 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7941788 0.90 NPSR1 (0.48) MAPTLMNAPOLBALDH1A1NPSR1
SCHEMBL7948105 0.87 NPSR1 (0.53) MAPTLMNAPOLBALDH1A1NPSR1
SCHEMBL7951730 0.86 NPSR1 (0.40) LMNAPOLBALDH1A1NPSR1SMN1; SMN2
SCHEMBL7953545 0.86 KMT2A (0.43) POLBALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL7949769 0.85 L3MBTL1 (0.51) MAPTALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL7953611 0.79 NPSR1 (0.67) MAPTLMNAPOLBALDH1A1NPSR1
SCHEMBL7951736 0.78 NPSR1 (0.44) MAPTLMNAPOLBNPSR1SMN1; SMN2
SCHEMBL7948165 0.76 NPSR1 (0.51) LMNAPOLBALDH1A1NPSR1SMN1; SMN2
SCHEMBL7949206 0.76 NPSR1 (0.53) POLBALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL7949082 0.74 MAPT (0.43) MAPTLMNAPOLBALDH1A1SMN1; SMN2

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-6255517-B1 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS Zee, Ok Pyo (KR) 2001-07-03 US disclosed