SCHEMBL8989074

SCHEMBL8989074

CCOC(=O)C(C=C(COCc1ccccc1)CP(=O)(OC(C)C)OC(C)C)NC=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK1D P48730 1/20 0.36
HPRT1 P00492 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP8 P22894 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 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
SCHEMBL8989092 0.90 CTSB (0.38) HSD17B10LMNAL3MBTL1HPRT1POLB
SCHEMBL8988987 0.87 CYP2D6 (0.31)
SCHEMBL8989077 0.83 KMT2A (0.39) HSD17B10LMNAL3MBTL1POLBSMN1; SMN2
SCHEMBL8989021 0.82 HTT (0.44) HSD17B10
SCHEMBL8988978 0.82 CSNK1D (0.40) HSD17B10LMNAL3MBTL1CSNK1DHPRT1
SCHEMBL8988971 0.82 CSNK1D (0.40) HSD17B10LMNAL3MBTL1CSNK1DHPRT1
SCHEMBL8989015 0.82 SMN1; SMN2 (0.39) LMNAL3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL8989027 0.81 HSD17B10 (0.33) HSD17B10LMNAL3MBTL1SMN1; SMN2CTSB
SCHEMBL8989096 0.80 ALDH1A1 (0.40) POLBMEN1KMT2ATAAR1KDM4E
SCHEMBL9744044 0.80 ALDH1A1 (0.40) POLBMEN1KMT2ATAAR1KDM4E

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-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed