SCHEMBL8988978

SCHEMBL8988978

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP8 P22894 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
HPRT1 P00492 1/20 0.35

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
SCHEMBL8988971 1.00 CSNK1D (0.40) CSNK1DLMNAL3MBTL1MMP8MAPT
SCHEMBL8989033 0.89 CTSB (0.38) LMNAL3MBTL1MMP8SMN1; SMN2TSHR
SCHEMBL8989026 0.89 CTSB (0.38) LMNAL3MBTL1MMP8SMN1; SMN2TSHR
SCHEMBL8988929 0.85 TRPA1 (0.33) HSD17B10ALDH1A1
SCHEMBL8989074 0.82 HSD17B10 (0.38) CSNK1DLMNAL3MBTL1MMP8MAPT
SCHEMBL8989163 0.80 HTT (0.50) LMNAL3MBTL1MAPTSMN1; SMN2HSD17B10
SCHEMBL8989159 0.80 HTT (0.50) LMNAL3MBTL1MAPTSMN1; SMN2HSD17B10
SCHEMBL8988921 0.79 LMNA (0.43) LMNAMAPTSMN1; SMN2NPC1KMT2A
SCHEMBL8989164 0.78 BCHE (0.34) LMNAL3MBTL1MMP8SMN1; SMN2KMT2A
SCHEMBL8988828 0.77 ALDH1A1 (0.46) LMNASMN1; SMN2TSHRKMT2AMEN1

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