SCHEMBL20118737

SCHEMBL20118737

CCC(C)N1c2cc(C)ccc2CCc2ccc(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
KCNH2 Q12809 1/20 0.33
HTR2A P28223 5/20 0.33
HTR2C P28335 5/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2B P41595 4/20 0.32
SRD5A1 P18405 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13057486 0.77 SLC6A2 (0.46) ALDH1A1MAPTDRD2DRD4KCNH2
SCHEMBL5547589 0.76 ALDH1A1 (0.48) ALDH1A1MAPTDPP8DPP9DPP7
SCHEMBL7168073 0.76 LMNA (0.40) ALDH1A1MAPTKCNH2HSD17B10CYP3A4
SCHEMBL23482191 0.75 ALDH1A1 (0.43) ALDH1A1MAPTHDAC1HDAC6AADAT
SCHEMBL13212460 0.72 MAPT (0.39) ALDH1A1MAPTKCNH2HSD17B10CYP1A2
SCHEMBL13212464 0.72 MAPT (0.39) ALDH1A1MAPT
SCHEMBL10311212 0.70 NOTUM (0.46) ALDH1A1MAPTDPP8DPP9DPP7
SCHEMBL10092850 0.68 ALDH1A1 (0.46) ALDH1A1HDAC1HDAC6DRD2DRD4
SCHEMBL12031043 0.68 ALDH1A1 (0.46) ALDH1A1MAPTHDAC1HDAC6DRD2
SCHEMBL10311209 0.68 ALDH1A1 (0.54) ALDH1A1MAPTSRD5A1MEN1TSHR

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
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed