SCHEMBL13935844

SCHEMBL13935844

Clc1cc2c(oc3cccc4c3c2c2cccc3oc5c6ccccc6c(-c6ccccc6)cc5c4c32)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 8/20 0.42
▸ ALOX5 P09917 2/20 0.37
▸ CDC14B O60729 1/20 0.35
▸ CDC14A Q9UNH5 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ TTR P02766 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ CTRC Q99895 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 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
SCHEMBL13935870 0.93 AHR (0.39) AHRALOX5CDC14BCDC14ATTR
SCHEMBL13935802 0.91 ALOX5 (0.42) ALOX5CDC14BCDC14ACYP1A2CYP1A1
SCHEMBL13935846 0.89 AHR (0.50) AHRALOX5CYP1A2TTRSMN1; SMN2
SCHEMBL13935848 0.88 ALOX5 (0.43) ALOX5CDC14BCDC14ACYP1A2CYP1A1
SCHEMBL31597560 0.87 AHR (0.47) AHRALOX5CDC14BCDC14ACYP1A2
SCHEMBL22818311 0.87 AHR (0.47) AHRALOX5CDC14BCDC14ACYP1A2
SCHEMBL13935853 0.87 CDC14B (0.43) AHRALOX5CDC14BCDC14ACYP1A2
SCHEMBL24672286 0.84 AHR (0.45) AHRALOX5CDC14BCDC14ACYP1A2
SCHEMBL13935862 0.83 ALOX5 (0.37) AHRALOX5CDC14BCDC14ACYP1A2
SCHEMBL13935842 0.79 MAOB (0.43) ALOX5CYP1A2CYP1A1CYP1B1ADORA3

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
US-7494721-B2 Light-emitting device, condensed polycyclic compound used therein and method for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-02-24 — — US disclosed
US-7494721-B2 Light-emitting device, condensed polycyclic compound used therein and method for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-02-24 — — US disclosed
Send feedback