SCHEMBL25233170

SCHEMBL25233170

OCCOc1ccc2ccc3c4ccccc4ccc3c2c1-c1c(OCCO)ccc2ccc3c4ccccc4ccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
HTR1B P28222 3/20 0.46
HTR1D P28221 1/20 0.46
HPRT1 P00492 1/20 0.42
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.39
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL25231965 0.92 IDO1 (0.51) IDO1HTR1BHTR1DCNR2CNR1
SCHEMBL25233826 0.89 IDO1 (0.51) IDO1HTR1BHTR1DHPRT1CNR2
SCHEMBL29361022 0.84 IDO1 (0.56) IDO1HTR1BHTR1DCNR2CNR1
SCHEMBL10398131 0.84 IDO1 (0.56) IDO1HTR1BHTR1DCNR2CNR1
SCHEMBL28913624 0.84 IDO1 (0.46) IDO1HTR1BHTR1DHPRT1CNR2
SCHEMBL31443101 0.82 IDO1 (0.54) IDO1HTR1BHTR1DCNR2CNR1
SCHEMBL28852559 0.81 HTR1B (0.58) IDO1HTR1BHTR1DHPRT1CNR2
SCHEMBL31443155 0.81 HTR1B (0.48) IDO1HTR1BHTR1DCNR2CNR1
SCHEMBL31443084 0.80 IDO1 (0.51) IDO1HTR1BHTR1DCNR2CNR1
SCHEMBL31443089 0.80 IDO1 (0.60) IDO1HTR1BHTR1DCNR2CNR1

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-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed