SCHEMBL29601474

SCHEMBL29601474

OCCOc1cc2cc(-c3ccc4ccccc4c3)ccc2c(-c2cccc3cc(-c4ccc5ccccc5c4)ccc23)c1OCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
HSD17B1 P14061 5/20 0.36
HSD17B2 P37059 5/20 0.36
SLC6A9 P48067 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2B6 P20813 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL29601612 0.93 SLC6A9 (0.42) HSD17B1HSD17B2SLC6A9CYP1A2CYP3A4
SCHEMBL29601896 0.91 IDO1 (0.36) IDO1HSD17B1HSD17B2SLC6A9HDAC4
SCHEMBL29601571 0.91 CHRNB4 (0.39) IDO1SLC6A9HDAC8CYP2C9CYP2C19
SCHEMBL30327454 0.89 CYP1A1 (0.33) IDO1CYP1A2CHRNB4CHRNA3CHRNA7
SCHEMBL29663218 0.88 IDO1 (0.35) IDO1HSD17B1HSD17B2SLC6A9GPR84
SCHEMBL28712372 0.88 IDO1 (0.42) IDO1HSD17B1HSD17B2SLC6A9HDAC4
SCHEMBL11331409 0.87 HTR1B (0.43) IDO1SLC6A9GPR84CHRNB4CHRNA3
SCHEMBL29351066 0.87 HTR1B (0.43) IDO1SLC6A9GPR84CHRNB4CHRNA3
SCHEMBL29601376 0.84 IDO1 (0.40) IDO1HDAC4HDAC2HDAC8GPR84
SCHEMBL29732693 0.84 CYP1A2 (0.38) IDO1SLC6A9CYP1A2GPR84

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
CN-113474321-B Compound having binaphthyl skeleton and method for producing compound having binaphthyl skeleton 帝人株式会社 2023-12-15 CN disclosed
CN-114375313-A Thermoplastic resin and optical member comprising the same 帝人株式会社 2022-04-19 CN disclosed