SCHEMBL7815263

SCHEMBL7815263

C[C@@H](C(=O)O)N(C=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
SMPD2 O60906 1/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL10786707 1.00 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL28187208 0.87 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL31016233 0.84 KMT2A (0.50) SMN1; SMN2NPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL12466932 0.80 LMNA (0.37) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL10784586 0.80 NPSR1 (0.41) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL6743611 0.80 ALDH1A1 (0.38) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL149788 0.79 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL6743610 0.78 KMT2A (0.37) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL10645063 0.78 GABRA1 (0.37) ALDH1A1TP53TSHRSMPD2PGR
SCHEMBL23213653 0.77 GRN (0.36) ALDH1A1SMN1; SMN2TSHRHTR2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164389-B1 PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES ALKALOIDA VEGYéSZETI GYáR (HU) 1987-04-01 EP claimed
EP-0164389-A1 PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES. ALKALOIDA VEGYESZETI GYAR (HU) 1985-12-18 EP claimed
WO-1985002609-A1 PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES ALKALOIDA VEGYÉSZETI GYÁR (HU) 1985-06-20 WO claimed
EP-0673936-B1 Antithrombotic agents LILLY CO ELI (US) 2001-02-07 EP disclosed
EP-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0673936-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-27 EP disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP disclosed