SCHEMBL8989098

SCHEMBL8989098

CCOC(=O)C(C=C(CCOCc1ccccc1)C(C(C)C)(C(C)C)P(=O)(O)O)NC=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
CTSB P07858 2/20 0.38
HPRT1 P00492 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
MMP8 P22894 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
LTA4H P09960 1/20 0.33
PPARA Q07869 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
SCHEMBL8989083 0.90 HSD17B10 (0.40) HSD17B10CTSBHPRT1LMNAL3MBTL1
SCHEMBL8989020 0.88 LMNA (0.38) HSD17B10LMNAPOLBSMN1; SMN2TSHR
SCHEMBL8989101 0.86 ALDH1A1 (0.40) HSD17B10CTSBPOLBTSHR
SCHEMBL8989081 0.85 KMT2A (0.39) HSD17B10L3MBTL1POLBSMN1; SMN2
SCHEMBL8988953 0.85 CYP2D6 (0.30)
SCHEMBL8989031 0.84 HSD17B10 (0.44) HSD17B10
SCHEMBL8988962 0.83 CYP2D6 (0.32)
SCHEMBL8988989 0.80 CYP2D6 (0.30)
SCHEMBL8988997 0.79 CYP2D6 (0.31)
SCHEMBL8989136 0.79 CYP2D6 (0.30)

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