SCHEMBL28306252

SCHEMBL28306252

Oc1ccc(C2CCc3ccccc32)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
IGF1R P08069 1/20 0.46
PARP1 P09874 1/20 0.46
GID4 Q8IVV7 1/20 0.44
DRD1 P21728 3/20 0.43
PIN1 Q13526 2/20 0.43
QDPR P09417 1/20 0.42
YWHAG P61981 1/20 0.42
ADRA1A P35348 1/20 0.42
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL1871239 0.81 SIGMAR1 (0.47) ALOX15IGF1RDRD1ADRA1AMAPK1
SCHEMBL14283849 0.79 DRD1 (0.47) ALOX15DRD1PIN1ADRA1ATP53
SCHEMBL7452684 0.77 GID4 (0.56) ALOX15IGF1RGID4ADRA1ACYP2D6
SCHEMBL5710152 0.77 PIN1 (0.51) DRD1PIN1ADRA1A
SCHEMBL5709376 0.77 SLC6A2 (0.60) ADRA1ACYP1A2CYP2D6CYP2C19ADRB1
SCHEMBL28398229 0.77 GID4 (0.48) GID4ADRA1ACYP2D6MAPK1ALDH1A1
Methylamine SCHEMBL27580406 0.77 SIGMAR1 (0.48) GID4DRD1ADRA1AMAPK1
SCHEMBL11102977 0.76 PARP1 (0.68) ALOX15PARP1DRD1CYP2D6MAPK1
SCHEMBL14494799 0.76 PARP1 (0.68) ALOX15PARP1DRD1CYP2D6MAPK1
SCHEMBL503849 0.76 SIGMAR1 (0.62) ALOX15IGF1RGID4ADRA1ACYP2D6

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-104883896-B The preparation method and its usage of blowing promotor 雀巢产品技术援助有限公司 2019-06-21 CN claimed