SCHEMBL8991906

SCHEMBL8991906

O=C(O)CNC(C(=O)O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PROC P04070 1/20 0.38
F7 P08709 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
EPHX1 P07099 6/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP13 P45452 1/20 0.36
DPP4 P27487 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
EPHX2 P34913 2/20 0.34

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
SCHEMBL27733842 0.81 SMN1; SMN2 (0.41) ALDH1A1ITGB3ITGB1ITGAVITGA5
SCHEMBL21468160 0.81 SMN1; SMN2 (0.41) ALDH1A1ITGB3ITGB1ITGAVITGA5
SCHEMBL1410684 0.81 SMN1; SMN2 (0.41) ALDH1A1ITGB3ITGB1ITGAVITGA5
SCHEMBL7216573 0.79 F2 (0.43) ALDH1A1F2MMP1MMP2MMP3
SCHEMBL30063639 0.78 SMN1; SMN2 (0.38) ALDH1A1ITGB3ITGB1ITGAVITGA5
SCHEMBL27973627 0.78 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL7218526 0.77 F2 (0.43) ALDH1A1F2MMP1MMP2MMP3
SCHEMBL6345512 0.77 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL6345508 0.77 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL20377968 0.77 CA12 (0.47) ALDH1A1EPHX1MMP2SMN1; SMN2RAB9A

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
EP-0724154-A1 Electrophoresis in low conductivity buffers BIO-RAD LABORATORIES, INC. (US) 1996-07-31 EP claimed