SCHEMBL8809708

SCHEMBL8809708

O=C(O)COc1cccc2c1CCC/C2=C/Cn1cnc(Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PPARD Q03181 2/20 0.36
PPARG P37231 1/20 0.36
PTGDR Q13258 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR1A P08908 1/20 0.35
ABCB1 P08183 1/20 0.35
PKM P14618 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL8413331 1.00 PTGIR (0.39) PTGIRMEN1KMT2ASMN1; SMN2MRGPRX4
SCHEMBL8811752 0.88 SIGMAR1 (0.37) MEN1KMT2ASMN1; SMN2MRGPRX4SIGMAR1
SCHEMBL8811745 0.77 PTGIR (0.44) PTGIRPTGDR2
SCHEMBL8809752 0.77 PTGIR (0.44) PTGIRPTGDR2
SCHEMBL8414452 0.77 PTGIR (0.60) PTGIRMEN1KMT2ASMN1; SMN2MRGPRX4
SCHEMBL8414316 0.76 ABCB1 (0.43) PTGIRMEN1KMT2ASMN1; SMN2MRGPRX4
SCHEMBL8414317 0.76 ABCB1 (0.43) PTGIRMEN1KMT2ASMN1; SMN2MRGPRX4
SCHEMBL8410702 0.74 PTGIR (0.60) PTGIRSIGMAR1HTR1APTGDR2
SCHEMBL8411299 0.74 PTGIR (0.41) PTGIRSMN1; SMN2PPARDPTGDR
SCHEMBL8809056 0.74 PTGIR (0.39) PTGIRMEN1KMT2ASMN1; SMN2PPARD

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-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed