SCHEMBL9550481

SCHEMBL9550481

CO/C=C(/C(=O)OC)c1cccc2cc(-c3cccc4ccccc34)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL9370356 0.88 MAPT (0.41) ALDH1A1HPGDMAPTNPC1GAA
SCHEMBL9550484 0.85 MAOA (0.47) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL9550507 0.83 ERAP1 (0.47) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL9550421 0.82 ERAP1 (0.41) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL9550451 0.82 SLC6A3 (0.43) ALDH1A1HPGDHDAC8MAOAMAOB
SCHEMBL9368976 0.80 NTRK1 (0.49) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL9550495 0.80 CYSLTR1 (0.49) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL9367517 0.79 HDAC3 (0.47) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL9370300 0.79 PTPN1 (0.47) ALDH1A1HPGDMAPTNPC1TP53
SCHEMBL9550413 0.79 CYSLTR1 (0.41) NPC1RAB9AHDAC8MAOAMAOB

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
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed