SCHEMBL8989031

SCHEMBL8989031

CCOC(=O)C(C=C(CCCCCCNC(=O)OCc1ccccc1)C(C(C)C)(C(C)C)P(=O)(O)O)NC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
TGM2 P21980 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
FOLH1 Q04609 2/20 0.39
PTGER4 P35408 3/20 0.39
MAPT P10636 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
GHSR Q92847 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL8989098 0.84 HSD17B10 (0.39) HSD17B10
SCHEMBL8989083 0.82 HSD17B10 (0.40) HSD17B10MAPT
SCHEMBL8988920 0.82 HTT (0.47) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL8989021 0.80 HTT (0.44) HSD17B10HTTTGM2SIRT2SIRT1
SCHEMBL8989163 0.80 HTT (0.50) HSD17B10HTTTGM2SIRT2SIRT1
SCHEMBL8989159 0.80 HTT (0.50) HSD17B10HTTTGM2SIRT2SIRT1
SCHEMBL8989081 0.80 KMT2A (0.39) HSD17B10MAPT
SCHEMBL8989101 0.79 ALDH1A1 (0.40) HSD17B10
SCHEMBL8988904 0.73 HTT (0.47) HSD17B10HTTTGM2SIRT2SIRT1
SCHEMBL8988962 0.73 CYP2D6 (0.32)

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