SCHEMBL7969622

SCHEMBL7969622

CCOC(=O)C(CCCCOS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
PIN1 Q13526 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APP P05067 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 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
SCHEMBL7972830 0.96 TDP1 (0.46) TDP1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL7064430 0.91 TDP1 (0.42) TDP1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL7971318 0.90 CTRC (0.40) TDP1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7976224 0.90 KMT2A (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7969965 0.89 TSHR (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL7972944 0.89 KMT2A (0.39) ATMSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7976145 0.87 TSHR (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL7976230 0.86 CTRC (0.38) TDP1SMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL7973102 0.86 TSHR (0.40) TDP1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7959970 0.86 RAB9A (0.36) RAB9AALDH1A1KMT2AMEN1CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed