SCHEMBL9380926

SCHEMBL9380926

O=C(O)CC[C@@H](NC(=O)c1ccc(Br)o1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
NAALAD2 Q9Y3Q0 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.49
FOLH1 Q04609 3/20 0.48
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
RIMKLA Q8IXN7 1/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9380922 1.00 LMNA (0.58) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL2248650 0.89 LMNA (0.56) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL2248654 0.89 TAS1R3 (0.53) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL13892828 0.83 HPGD (0.72) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL3581117 0.82 HPGD (0.62) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL2317392 0.81 TAS1R3 (0.51) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL9386133 0.76 TAS1R3 (0.54) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL9386128 0.76 TAS1R3 (0.54) LMNAL3MBTL1TAS1R3TAS1R1ALDH1A1
SCHEMBL1605515 0.75 NAALAD2 (0.57) ALDH1A1HPGDNAALAD2FOLH1CA2
SCHEMBL10571826 0.75 NAALAD2 (0.57) ALDH1A1HPGDNAALAD2FOLH1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343801-B1 N-(5,6,7,8-tetrahydropyrido(2,3-D)pyrimidin-6-yl-alkanoyl)-glutamic acid derivatives UNIV PRINCETON (US) 1994-08-03 EP disclosed
EP-0343801-A2 N-(5,6,7,8-tetrahydropyrido(2,3-D)pyrimidin-6-yl-alkanoyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-29 EP disclosed
US-4882334-A ANTITUMOR AGENTS INHIBIT ENZYMES WHICH USE FOLIC ACID OR ITS METABOLITES AS SUBSTRATE; ANTICARCINOGENIC THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-21 US disclosed