SCHEMBL30797262

SCHEMBL30797262

Cc1ccccc1N[C@H](C)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.53
ITGB3 P05106 2/20 0.53
ITGAV P06756 2/20 0.53
ITGA5 P08648 1/20 0.53
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 6/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
P2RX7 Q99572 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ITGA4 P13612 2/20 0.44
PGR P06401 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL20577931 0.83 RAB9A (0.44) RAB9ANPC1HPGDALDH1A1P2RX7
SCHEMBL20577930 0.83 RAB9A (0.44) RAB9ANPC1HPGDALDH1A1P2RX7
SCHEMBL27660386 0.82 HPGD (0.47) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL16340022 0.81 PYGL (0.53) ITGB1ITGB3ITGAVITGA5RAB9A
SCHEMBL8435071 0.81 PYGL (0.53) ITGB1ITGB3ITGAVITGA5RAB9A
SCHEMBL28481705 0.81 KCNQ2 (0.50) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL11315276 0.81 GAA (0.49) RAB9ANPC1HPGDALDH1A1P2RX7
SCHEMBL10491009 0.80 FABP4 (0.47) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL23077764 0.79 CA12 (0.50) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL20780229 0.78 MAPT (0.47) RAB9ANPC1HPGDALDH1A1P2RX7

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-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed