SCHEMBL9857341

SCHEMBL9857341

CCCc1ccc(OCC(=O)OCC)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.48
SCN5A Q14524 2/20 0.48
SCN2A Q99250 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PLK1 P53350 5/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9857019 0.94 NR1H4 (0.50) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9857546 0.94 NR1H4 (0.52) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9712885 0.93 NR1H4 (0.51) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9857326 0.93 NR1H4 (0.51) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9712966 0.92 NR1H4 (0.50) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9713749 0.91 NR1H4 (0.49) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9713032 0.91 PLK1 (0.53) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9856976 0.91 NR1H4 (0.54) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9712980 0.90 NR1H4 (0.54) NR1H4MEN1KMT2AMAPTSCN5A
SCHEMBL9857365 0.90 NR1H4 (0.52) NR1H4MEN1KMT2AMAPTSCN5A

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
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed