SCHEMBL28209296

SCHEMBL28209296

O=C(O)c1cc(OCc2ccccc2)c2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGER1 P34995 5/20 0.51
MRGPRX4 Q96LA9 5/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
P2RY14 Q15391 1/20 0.46
SRD5A2 P31213 2/20 0.46
CYP2C9 P11712 1/20 0.46
SRD5A1 P18405 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
SCHEMBL18009394 0.87 HPGD (0.55) MEN1KMT2APTGER1SRD5A2CYP2C9
SCHEMBL20515877 0.78 MEN1 (0.52) MEN1KMT2APTGER1MRGPRX4NR4A2
SCHEMBL17966385 0.78 MEN1 (0.63) MEN1KMT2APTGER1MRGPRX4RXRA
SCHEMBL18032995 0.78 CA12 (0.53)
SCHEMBL30696120 0.77 MRGPRX4 (0.66) MEN1KMT2APTGER1MRGPRX4RXRA
SCHEMBL6959477 0.77 MRGPRX4 (0.66) MEN1KMT2APTGER1MRGPRX4RXRA
SCHEMBL793724 0.76 MEN1 (0.65) MEN1KMT2APTGER1MRGPRX4RXRA
SCHEMBL5838451 0.75 MEN1 (0.63) MEN1KMT2APTGER1MRGPRX4RXRA
SCHEMBL837602 0.75 L3MBTL1 (0.51) PTGER1
SCHEMBL642448 0.75 MEN1 (0.63) MEN1KMT2APTGER1MRGPRX4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922427-A Antiviral compounds 艾丽奥斯生物制药有限公司 2018-04-17 CN disclosed