SCHEMBL8989083

SCHEMBL8989083

CCOC(=O)C(C=C(COCc1ccccc1)C(C(C)C)(C(C)C)P(=O)(O)O)NC=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK1D P48730 1/20 0.36
HPRT1 P00492 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 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
MBOAT4 Q96T53 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
PTPN1 P18031 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
SCHEMBL8989098 0.90 HSD17B10 (0.39) HSD17B10LMNAL3MBTL1HPRT1SMN1; SMN2
SCHEMBL8988997 0.87 CYP2D6 (0.31)
SCHEMBL8989081 0.83 KMT2A (0.39) HSD17B10L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL8989031 0.82 HSD17B10 (0.44) HSD17B10MAPT
SCHEMBL8989020 0.82 LMNA (0.38) HSD17B10LMNASMN1; SMN2TSHRMAPT
SCHEMBL8989101 0.80 ALDH1A1 (0.40) HSD17B10TSHRCTSBPTPN1
SCHEMBL8988989 0.78 CYP2D6 (0.30)
SCHEMBL8988953 0.78 CYP2D6 (0.30)
SCHEMBL8989025 0.76
SCHEMBL8989074 0.76 HSD17B10 (0.38) HSD17B10LMNAL3MBTL1CSNK1DHPRT1

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