SCHEMBL28705255

SCHEMBL28705255

C=CCCCCCCCCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBXAS1 P24557 1/20 0.41
HTR2A P28223 3/20 0.40

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
SCHEMBL2243004 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC3
SCHEMBL5974675 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC3
SCHEMBL7574911 0.98 SIGMAR1 (0.44) SIGMAR1IDO1PAMHDAC1HDAC3
SCHEMBL9480916 0.94 SIGMAR1 (0.44) SIGMAR1IDO1PAMHDAC1HDAC3
SCHEMBL38654783 0.90 TSHR (0.41) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3795388 0.89 SIGMAR1 (0.50) SIGMAR1IDO1PAMHDAC1HDAC3
SCHEMBL11199357 0.85 SIGMAR1 (0.42) SIGMAR1IDO1PAMHDAC3ALDH1A1
SCHEMBL3256288 0.85 SIGMAR1 (0.47) SIGMAR1IDO1PAMALDH1A1HPGD
SCHEMBL9530439 0.85 SIGMAR1 (0.47) SIGMAR1IDO1PAMALDH1A1HPGD
SCHEMBL1003497 0.84 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC3

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-110423191-B Synthesis method of terminal carboxylic acid 常州大学 2022-03-29 CN disclosed