SCHEMBL7941788

SCHEMBL7941788

Cc1ccc(C2(COC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC(=O)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 3/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.38
HTR2A P28223 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7948014 0.90 MAPT (0.43) NPSR1POLBKMT2AMAPTLMNA
SCHEMBL7953611 0.87 NPSR1 (0.67) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7948165 0.86 NPSR1 (0.51) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7949206 0.86 NPSR1 (0.53) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7948105 0.78 NPSR1 (0.53) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7951730 0.76 NPSR1 (0.40) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7953533 0.73 NPSR1 (0.72) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7949822 0.73 NPSR1 (0.74) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7951770 0.70 NPSR1 (0.44) NPSR1POLBAPEX1KMT2AATM
SCHEMBL11685951 0.68 MAPT (0.64) POLBMAPTLMNAALDH1A1

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