SCHEMBL8763176

SCHEMBL8763176

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIN1 Q13526 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35

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
SCHEMBL9067733 0.87 CAPN1 (0.44) HSD17B10NPC1MEN1KMT2AALDH1A1
SCHEMBL9067052 0.81 GRIK1 (0.39) NPC1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8528855 0.73 HSD17B10 (0.35) HSD17B10NPC1MEN1KMT2AALDH1A1
SCHEMBL7049694 0.72 HSD17B10 (0.50) HSD17B10NPC1MEN1KMT2AALDH1A1
SCHEMBL14874554 0.71 HSD17B10 (0.56) HSD17B10NPC1MEN1KMT2AL3MBTL1
SCHEMBL8345051 0.71 HSD17B10 (0.56) HSD17B10NPC1MEN1KMT2AL3MBTL1
SCHEMBL8530427 0.71 ALDH1A1 (0.39) HSD17B10NPC1KMT2AALDH1A1L3MBTL1
SCHEMBL9067050 0.71 CYP3A4 (0.42) NPC1KMT2AALDH1A1HPGDRAB9A
SCHEMBL7049701 0.71 ALDH1A1 (0.36) HSD17B10NPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL31516111 0.70 HSD17B10 (0.36) HSD17B10NPC1MEN1KMT2AALDH1A1

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
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP disclosed