SCHEMBL7953578

SCHEMBL7953578

CC(=O)Oc1ccccc1C1(COC(=O)Cc2ccc(F)cc2)CO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
AGTR1 P30556 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 2/20 0.37
APEX1 P27695 1/20 0.37
KLK7 P49862 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL7949843 0.87 NPSR1 (0.57) ALDH1A1HPGDAGTR1HSD17B10NPSR1
SCHEMBL7953610 0.87 NPSR1 (0.47) ALDH1A1HPGDAGTR1HSD17B10NPSR1
SCHEMBL7953635 0.80 NPSR1 (0.59) ALDH1A1NPSR1SMN1; SMN2L3MBTL1POLB
SCHEMBL7951729 0.80 NPSR1 (0.48) ALDH1A1NPSR1SMN1; SMN2L3MBTL1POLB
SCHEMBL7953533 0.78 NPSR1 (0.72) ALDH1A1HPGDAGTR1HSD17B10NPSR1
SCHEMBL7949061 0.75 NPSR1 (0.56) ALDH1A1NPSR1L3MBTL1POLBTDP1
SCHEMBL7951721 0.73 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1SMN1; SMN2L3MBTL1
SCHEMBL7951736 0.73 NPSR1 (0.44) NPSR1SMN1; SMN2L3MBTL1POLBKMT2A
SCHEMBL7948105 0.73 NPSR1 (0.53) ALDH1A1NPSR1SMN1; SMN2L3MBTL1POLB
SCHEMBL7951730 0.73 NPSR1 (0.40) ALDH1A1HPGDNPSR1SMN1; SMN2L3MBTL1

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