SCHEMBL7940762

SCHEMBL7940762

C=CCOC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.50
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ATM Q13315 1/20 0.47
CASP1 P29466 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL10081124 0.86 LMNA (0.63) LMNASMN1; SMN2HTTTPSAB1TPSD1
SCHEMBL25675422 0.83 HTT (0.51) TGM2LMNASMN1; SMN2HTTTPSAB1
SCHEMBL21416177 0.83 HTT (0.51) TGM2LMNASMN1; SMN2HTTTPSAB1
SCHEMBL17895893 0.83 ALDH1A1 (0.56) TGM2LMNASMN1; SMN2ALDH1A1
SCHEMBL11599076 0.82 LMNA (0.49) TGM2LMNASMN1; SMN2HTTTPSAB1
SCHEMBL11599079 0.82 LMNA (0.49) TGM2LMNASMN1; SMN2HTTTPSAB1
SCHEMBL10641387 0.82 LMNA (0.61) TGM2LMNASMN1; SMN2HTTTPSAB1
SCHEMBL3231538 0.81 PPID (0.64) LMNASMN1; SMN2HTTTPSAB1TPSD1
SCHEMBL2341872 0.81 TGM2 (0.62) TGM2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL1171418 0.81 LMNA (0.56) TGM2LMNASMN1; SMN2HTTTPSAB1

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-6245938-B1 COMPOUND SUITABLE FOR USE BOTH AS DERIVATIZING GROUP FOR OPTICAL SEPARATION OF ENANTIOMERS AND AS PROTECTING GROUP FOR PREPARATION OF MISACYLATED TRNA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-06-12 US disclosed
US-4970297-A CONTAINING ISOXAZOLE RING SYNTEX (U.S.A.) INC. (US) 1990-11-13 US disclosed