SCHEMBL14374030

SCHEMBL14374030

CNC(=O)CSCCOP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MVD P53602 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TPI1 P60174 1/20 0.38
▸ LPAR3 Q9UBY5 7/20 0.37
▸ LPAR2 Q9HBW0 6/20 0.37
▸ LPAR1 Q92633 5/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ENPP2 Q13822 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP8 P22894 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
SCHEMBL12257058 0.82 MVD (0.46) MVDALDH1A1TPI1LPAR3LPAR2
SCHEMBL12234244 0.81 MVD (0.45) MVDMAPTTPI1LPAR3LPAR2
SCHEMBL10044364 0.76 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKMT2ATP53
SCHEMBL12257897 0.73 MVD (0.47) MVDALDH1A1MAPTLPAR3LPAR2
SCHEMBL18963373 0.73 CES2 (0.39) ALDH1A1MAPTLMNAKMT2ATP53
SCHEMBL15945376 0.72 KMT2A (0.48) ALDH1A1MAPTLMNAKMT2ATP53
SCHEMBL12234243 0.71 MVD (0.46) MVDLPAR3LPAR2LPAR1
SCHEMBL18540716 0.71 — —
SCHEMBL14878232 0.71 TPI1 (0.64) ALDH1A1MAPTTPI1LPAR3LPAR2
SCHEMBL14004129 0.70 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007147252-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 — — WO disclosed
Send feedback