SCHEMBL8530430

SCHEMBL8530430

CCOC(=O)C(C)(CC(C)C)[PH](=O)CSc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 1/20 0.38
MMP8 P22894 2/20 0.38
PIN1 Q13526 2/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
RECQL P46063 1/20 0.34
PRNP P04156 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8529953 0.88 ANPEP (0.36) ALDH1A1MMP8MAPTNPC1PRNP
SCHEMBL8528294 0.82 ALDH1A1 (0.37) ALDH1A1HPGDMMP8MAPTSMN1; SMN2
SCHEMBL8764856 0.80 PRNP (0.53) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL7049701 0.77 ALDH1A1 (0.36) ALDH1A1HPGDMMP8PIN1MAPT
SCHEMBL7440533 0.73 ALDH1A1 (0.36) ALDH1A1HPGDMMP8PIN1MAPT
SCHEMBL7440530 0.71 MMP8 (0.39) ALDH1A1HPGDMMP8PIN1MAPT
SCHEMBL8763176 0.69 HSD17B10 (0.42) ALDH1A1HPGDPIN1MAPTNPC1
SCHEMBL11415156 0.69 MMP8 (0.46) ALDH1A1MMP8PIN1MAPTNPC1
SCHEMBL8532813 0.68 MMP8 (0.42) MMP8
SCHEMBL16732189 0.67 PIN1 (0.47) ALDH1A1MMP8PIN1MAPTNPC1

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-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed