SCHEMBL9029299

SCHEMBL9029299

O=C(OCCN1CCOCC1)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 6/20 0.48
ALDH1A1 P00352 6/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 1/20 0.45
ALDH3A1 P30838 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP13 P45452 2/20 0.43
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
MAOB P27338 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL9029289 1.00 SMN1; SMN2 (0.54) SMN1; SMN2HPGDALDH1A1TP53MAPT
SCHEMBL9029483 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HPGDALDH1A1MMP2MMP9
SCHEMBL9029495 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HPGDALDH1A1MMP2MMP9
SCHEMBL9308729 0.82 HPGD (0.58) HPGDALDH1A1MAPTHTTL3MBTL1
SCHEMBL9030080 0.80 UTS2R (0.45) HPGDALDH1A1NPC1RAB9APOLB
SCHEMBL9310714 0.80 HPGD (0.62) SMN1; SMN2HPGDALDH1A1TP53MAPT
SCHEMBL9034399 0.76 HPGD (0.52) SMN1; SMN2HPGDALDH1A1TP53NPC1
SCHEMBL9309615 0.75 HPGD (0.51) SMN1; SMN2HPGDALDH1A1TP53NPC1
SCHEMBL9308546 0.75 MEN1 (0.53) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL9308604 0.72 ALDH1A1 (0.50) SMN1; SMN2HPGDALDH1A1MAPTATM

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-0486386-B1 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR (FR) 1996-07-17 EP claimed
US-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US claimed