SCHEMBL8811752

SCHEMBL8811752

CC(=O)Oc1cccc2c1CCCC2=CCn1cnc(Cc2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
HTR1A P08908 1/20 0.37
ABCB1 P08183 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PTPN1 P18031 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
PTGS2 P35354 1/20 0.31
TBXA2R P21731 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RXRA P19793 1/20 0.30
PTGER1 P34995 1/20 0.30
RXRB P28702 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
SCHEMBL8809708 0.88 PTGIR (0.39) SIGMAR1HTR1AABCB1MRGPRX4MEN1
SCHEMBL8413331 0.88 PTGIR (0.39) SIGMAR1HTR1AABCB1MRGPRX4MEN1
SCHEMBL8811750 0.78 ACHE (0.35) SIGMAR1
SCHEMBL8812508 0.78 PTGIR (0.46) SIGMAR1ABCB1MEN1KMT2ASMN1; SMN2
SCHEMBL8810160 0.74 PTGIR (0.47) SIGMAR1HTR1A
SCHEMBL8413330 0.73 RXRB (0.40) MRGPRX4SMN1; SMN2KDM4ELMNARXRA
SCHEMBL8811865 0.71 SIGMAR1 (0.38) SIGMAR1HTR1AABCB1MRGPRX4ABCC1
SCHEMBL8413631 0.71 ABCB1 (0.43) SIGMAR1HTR1AABCB1MRGPRX4ABCC1
SCHEMBL8809050 0.70 CYP19A1 (0.38) SIGMAR1HTR1AABCB1MEN1KMT2A
SCHEMBL8411295 0.70 PTGIR (0.44) SIGMAR1HTR1AABCB1

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