SCHEMBL7766005

SCHEMBL7766005

CC(C)COC(=O)N[C@@H]([C]=O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 6/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
MME P08473 1/20 0.31

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
SCHEMBL6538856 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL5804133 0.79 TGFBR1 (0.34)
SCHEMBL5804135 0.79 TGFBR1 (0.34)
SCHEMBL5674818 0.77 SMN1; SMN2 (0.50) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL15502165 0.77 SMN1; SMN2 (0.59) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL7297298 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL7297292 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL8253529 0.74 SMN1; SMN2 (0.55) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL3212391 0.73 CA1 (0.46) CTSLCTSBCTSSCTSK
SCHEMBL2234718 0.73 MME (0.53) SMN1; SMN2ALDH1A1LMNAMME

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
EP-1100814-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2001-05-23 EP disclosed
WO-2000005245-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2000-02-03 WO disclosed