SCHEMBL9489554

SCHEMBL9489554

O=C1CC(C(=O)O)c2cc(-c3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.47
EDNRA P25101 6/20 0.47
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
APAF1 O14727 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL916737 0.80 ALDH1A1 (0.53) EDNRBEDNRAALDH1A1MEN1KMT2A
SCHEMBL28850201 0.80 ALDH1A1 (0.53) EDNRBEDNRAALDH1A1MEN1KMT2A
SCHEMBL2452597 0.78 KDM4E (0.55) EDNRBEDNRAALDH1A1NPC1MEN1
SCHEMBL5156270 0.78 MAOB (0.43) ALDH1A1MAOB
SCHEMBL5158375 0.74 LMNA (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL32690147 0.70 ALDH1A1 (0.40) EDNRBEDNRAALDH1A1MEN1KMT2A
SCHEMBL28322348 0.69 MAPT (0.44) EDNRBEDNRANPC1MEN1MAPT
Hydrochloric Acid SCHEMBL8565575 0.69 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL7503965 0.69 MEN1 (0.44) EDNRBEDNRAALDH1A1NPC1MEN1
SCHEMBL18387977 0.69 SIGMAR1 (0.41) EDNRBEDNRAMAOBFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496836-A4 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1993-05-05 EP disclosed
EP-0496836-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS. RES CORP TECHNOLOGIES INC (US) 1992-08-05 EP disclosed