SCHEMBL8829697

SCHEMBL8829697

CN(C)c1ccc([C@H](NCCc2ccccc2)[C@@H](O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MAPK1 P28482 2/20 0.47
HAT1 O14929 1/20 0.47
EP300 Q09472 1/20 0.47
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL8829745 0.83 RAB9A (0.50) CNR2HAT1EP300POLBALDH1A1
SCHEMBL8829770 0.81 OPRM1 (0.47) HAT1EP300NPC1RAB9ASMN1; SMN2
SCHEMBL8829778 0.80 PLAAT3 (0.50) CNR2HAT1EP300KMT2AMEN1
SCHEMBL8829696 0.75 ALDH1A1 (0.48) CNR2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9427609 0.71 ACP3 (0.50) MAPK1ALDH1A1ALOX15SMN1; SMN2KMT2A
SCHEMBL8430372 0.71 ACP3 (0.50) MAPK1ALDH1A1ALOX15SMN1; SMN2KMT2A
SCHEMBL9728845 0.70 CNR2 (0.44) CNR2MAPK1HAT1EP300ALDH1A1
SCHEMBL7139621 0.70 NAAA (0.55) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL7139614 0.70 NAAA (0.55) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL1884632 0.69 OPRK1 (0.48) CNR2KMT2AMEN1

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
US-5608102-A Process for the preparation of β-phenylisoserine and its analogues RHONE-POULENC RORER S.A. (FR) 1997-03-04 US disclosed