SCHEMBL8809706

SCHEMBL8809706

CC(=O)Oc1cccc2c1CCCC2=CCc1cc(C(c2ccccc2)c2ccccc2)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ABCB1 P08183 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
HTR1A P08908 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PTGIR P43119 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL8810965 0.88 PTGIR (0.45) PTGIRMRGPRX4
SCHEMBL8411225 0.88 PTGIR (0.45) PTGIRMRGPRX4
SCHEMBL8812859 0.86 ABCB1 (0.35) MEN1KMT2AABCB1NPC1RAB9A
SCHEMBL8812584 0.82 MEN1 (0.36) MEN1KMT2AABCB1NPC1RAB9A
SCHEMBL8811809 0.75 ABCB1 (0.33) MEN1KMT2AABCB1NPC1RAB9A
SCHEMBL8412744 0.75 PTGIR (0.42) MEN1KMT2ANPC1RAB9APTGIR
SCHEMBL8811695 0.74 TBXAS1 (0.33) ABCB1SIGMAR1HTR1APTGIRSLC6A3
SCHEMBL8411187 0.73 PTGIR (0.46) PTGIRMRGPRX4
SCHEMBL8809301 0.73 PTGIR (0.46) PTGIRMRGPRX4
SCHEMBL8411221 0.73 RXRA (0.37) PTGIRMRGPRX4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed