SCHEMBL9857643

SCHEMBL9857643

O=C(O)CCc1ccccc1NC(=O)c1ccc(OCCCOc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.53
CACNA1H O95180 2/20 0.53
CACNA1B Q00975 1/20 0.53
CYSLTR2 Q9NS75 4/20 0.51
CYSLTR1 Q9Y271 4/20 0.51
SUCNR1 Q9BXA5 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
FFAR1 O14842 3/20 0.49
PPARA Q07869 1/20 0.49
MAPT P10636 2/20 0.48
SLC16A3 O15427 1/20 0.48
CASP3 P42574 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL9857021 0.91 FFAR1 (0.63) PLK1CYSLTR2CYSLTR1FFAR1NR1H4
SCHEMBL9713304 0.86 PLK1 (0.53) PLK1CACNA1HCACNA1BMEN1KMT2A
SCHEMBL9857002 0.84 CYSLTR2 (0.59) PLK1CYSLTR2CYSLTR1FFAR1SLC16A3
SCHEMBL11347943 0.84 NR1H4 (0.55) SUCNR1MEN1KMT2ANPC1RAB9A
SCHEMBL1123608 0.81 SENP7 (0.61) PLK1MEN1KMT2ANPC1RAB9A
SCHEMBL9857410 0.78 NR1H4 (0.53) PLK1CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL9351817 0.76 ADRA1D (0.59) CACNA1HCACNA1BCYSLTR2CYSLTR1FFAR1
SCHEMBL11326563 0.76 MAPT (0.67) PLK1MEN1KMT2ANPC1RAB9A
SCHEMBL9348939 0.75 ADRA1D (0.60) CACNA1HCYSLTR2CYSLTR1FFAR1NR1H4
SCHEMBL31661766 0.75 SLC16A3 (0.54) MEN1KMT2APPARASLC16A3TP53

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