SCHEMBL9561521

SCHEMBL9561521

NC(CC(=O)c1ccccc1)C(N)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 2/20 0.41
CES1 P23141 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 6/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
GSK3B P49841 2/20 0.39
PTPN1 P18031 2/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL9622340 0.75 CES1 (0.42) TSHRMAPTSMN1; SMN2CES1TDP1
SCHEMBL3349927 0.74 CYP1A2 (0.52) TSHRMAPTSMN1; SMN2CES1TDP1
SCHEMBL3345524 0.74 CES1 (0.50) TSHRKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3349207 0.74 CES1 (0.45) TSHRKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL8689493 0.73 PPARG (0.35) KMT2ASMN1; SMN2MAPK1MEN1KDM4E
SCHEMBL10517046 0.73 TSHR (0.63) TSHRKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL6425252 0.71 TSHR (0.61) TSHRKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL11142714 0.70 TSHR (0.50) TSHRKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3345739 0.70 CES1 (0.46) TSHRKMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2791083 0.70 TSHR (0.64) TSHRKMT2AMAPTSMN1; SMN2HPGD

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-0522152-A1 LHRH ANTAGONISTS THE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND (US) 1993-01-13 EP disclosed
US-5171835-A LHRH antagonists THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-12-15 US disclosed
WO-1992013883-A1 LHRH ANTAGONISTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-08-20 WO disclosed