SCHEMBL11358409

SCHEMBL11358409

COc1ccc(CP(Cc2ccccc2OC)Cc2ccccc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.47
LTA4H P09960 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
IDO1 P14902 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL381717 0.86 IDO1 (0.55) IDO1TAAR1L3MBTL1MAPTKDM4E
SCHEMBL29650488 0.86 IDO1 (0.55) IDO1TAAR1L3MBTL1MAPTKDM4E
SCHEMBL380362 0.82 IDO1 (0.56) LTA4HSLC6A4IDO1TAAR1MAPT
SCHEMBL6476003 0.80 IDO1 (0.54) LTA4HSLC6A4IDO1TAAR1MAPT
SCHEMBL7282070 0.79 LTA4H (0.62) ABCB1LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL5689697 0.75 IDO1 (0.48) IDO1TAAR1LMNATSHRCHRM2
SCHEMBL18725306 0.75 ABCB1 (0.48) ABCB1LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL9879256 0.74 IDO1 (0.52) LTA4HSLC6A4IDO1TAAR1MAPT
SCHEMBL7710320 0.74 IDO1 (0.47) IDO1TAAR1L3MBTL1MAPTLMNA
SCHEMBL11461076 0.74 IDO1 (0.47) IDO1TAAR1L3MBTL1MAPTKDM4E

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-4292437-A USING A PALLADIUM-ORTHO-SUBSTITUTED TRIARYL PHOSPHINE COMPLEX AS CATALYST FOR THE CARBONYLATION OF PROPYLENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-29 US disclosed