SCHEMBL8989033

SCHEMBL8989033

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP8 P22894 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 1/20 0.37
HPRT1 P00492 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL8989026 1.00 CTSB (0.38) CTSBLMNAL3MBTL1MMP8SMN1; SMN2
SCHEMBL8988978 0.89 CSNK1D (0.40) LMNAL3MBTL1MMP8SMN1; SMN2HPRT1
SCHEMBL8988971 0.89 CSNK1D (0.40) LMNAL3MBTL1MMP8SMN1; SMN2HPRT1
SCHEMBL8988921 0.86 LMNA (0.43) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8988832 0.84 ALDH1A1 (0.46) CTSBLMNASMN1; SMN2HTTTSHR
SCHEMBL8988828 0.84 ALDH1A1 (0.46) CTSBLMNASMN1; SMN2HTTTSHR
SCHEMBL8989092 0.83 CTSB (0.38) CTSBLMNAL3MBTL1MMP8SMN1; SMN2
SCHEMBL8989163 0.82 HTT (0.50) LMNAL3MBTL1SMN1; SMN2HTTHSD17B10
SCHEMBL8989159 0.82 HTT (0.50) LMNAL3MBTL1SMN1; SMN2HTTHSD17B10
SCHEMBL8988966 0.81 TRPA1 (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