SCHEMBL9150822

SCHEMBL9150822

COC=C(C(=O)OC)c1ccccc1Oc1cccc(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR8 P51685 1/20 0.39
USP2 O75604 1/20 0.39
FFAR1 O14842 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL9150816 1.00 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL9154810 0.90 ALDH1A1 (0.40) MTNR1BALDH1A1KDM4EMEN1KMT2A
SCHEMBL9154813 0.90 ALDH1A1 (0.40) MTNR1BALDH1A1KDM4EMEN1KMT2A
SCHEMBL9148387 0.89 FFAR1 (0.50) FFAR1
SCHEMBL9148399 0.89 FFAR1 (0.50) FFAR1
SCHEMBL9148391 0.89 KDM4E (0.39) MTNR1BALDH1A1KDM4EMEN1KMT2A
SCHEMBL9148394 0.89 KDM4E (0.39) MTNR1BALDH1A1KDM4EMEN1KMT2A
SCHEMBL9148398 0.89 KDM4E (0.39) MTNR1BALDH1A1KDM4EMEN1KMT2A
SCHEMBL9150477 0.87 RAB9A (0.46) MTNR1BALDH1A1KDM4EMEN1KMT2A
SCHEMBL9150478 0.87 RAB9A (0.46) MTNR1BALDH1A1KDM4EMEN1KMT2A

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-5468857-A Phenylmethoxypropenoic esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-11-21 US disclosed
US-5334748-A A methyl 2-aryl heterofunctional phenoxyphenyl-3-methoxy-propenoate compound; treating the plant diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
EP-0307103-A2 Fungicides ZENECA LIMITED (GB) 1989-03-15 EP disclosed