SCHEMBL8989092

SCHEMBL8989092

CCOC(=O)C(C=C(CCOCc1ccccc1)CP(=O)(OC(C)C)OC(C)C)NC=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.38
HSD17B10 Q99714 1/20 0.37
HPRT1 P00492 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CTSL P07711 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
SCHEMBL8989074 0.90 HSD17B10 (0.38) CTSBHSD17B10HPRT1LMNAL3MBTL1
SCHEMBL8989015 0.88 SMN1; SMN2 (0.39) LMNAL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8989096 0.86 ALDH1A1 (0.40) CTSBPOLBALDH1A1KDM4ETDP1
SCHEMBL8989077 0.85 KMT2A (0.39) HSD17B10LMNAL3MBTL1POLBSMN1; SMN2
SCHEMBL8988946 0.85 CYP2D6 (0.30)
SCHEMBL8989021 0.84 HTT (0.44) HSD17B10HTT
SCHEMBL8989027 0.83 HSD17B10 (0.33) CTSBHSD17B10LMNAL3MBTL1SMN1; SMN2
SCHEMBL8988939 0.83 CYP2D6 (0.32)
SCHEMBL8989026 0.83 CTSB (0.38) CTSBHSD17B10HPRT1LMNAL3MBTL1
SCHEMBL8989033 0.83 CTSB (0.38) CTSBHSD17B10HPRT1LMNAL3MBTL1

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