SCHEMBL29601565

SCHEMBL29601565

OCCOc1c(OCCO)c(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1-c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
GSTP1 P09211 1/20 0.38
ERN1 O75460 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALOX5 P09917 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
SOS1 Q07889 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL29601376 0.85 IDO1 (0.40) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL29601768 0.81 ALDH1A1 (0.44) GPR84IDO1ALDH1A1RECQLCYP2D6
SCHEMBL30971017 0.81 GPR84 (0.49) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL27113965 0.80 IDO1 (0.47) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL29127416 0.80 IDO1 (0.46) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL30675914 0.80 GPR84 (0.38) HDAC4HDAC2HDAC8GPR84ERN1
SCHEMBL27113964 0.80 IDO1 (0.48) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL29601305 0.79 CHRNB4 (0.41) HDAC8IDO1ALDH1A1RECQLCYP2C9
SCHEMBL30292776 0.78 GSTP1 (0.46) HDAC4HDAC2HDAC8GSTP1ERN1
SCHEMBL29127412 0.78 GPR84 (0.44) HDAC4HDAC2HDAC8GPR84GSTP1

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
CN-114375313-A Thermoplastic resin and optical member comprising the same 帝人株式会社 2022-04-19 CN disclosed