SCHEMBL12434729

SCHEMBL12434729

N[C@H](Cc1c2ccccc2cc2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL887084 1.00 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29407854 1.00 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL180266 1.00 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7018652 0.83 SLC7A5 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4456057 0.81 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12436130 0.80 MAPT (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27135549 0.80 MAPT (0.54) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL7570495 0.80 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL31485501 0.79 KDM4E (0.49) MEN1KMT2AKDM4EMAPTHTR2A
SCHEMBL31162409 0.79 NOS3 (0.50) ALPIPKMPTGS1XIAPSLC7A5

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-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed