SCHEMBL28528221

SCHEMBL28528221

O=C(O)CN1CCC2(CC1)COC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.33
CYP2D6 P10635 1/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR1 P21453 1/20 0.33
SLC6A9 P48067 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
Hydrochloric Acid SCHEMBL1374952 0.86 HSD17B10 (0.47) HSD17B10ITGB3ITGA2BEGLN1KDM4E
SCHEMBL14671192 0.83 ITGB3 (0.51) HSD17B10ITGB3ITGA2BEGLN1TSHR
SCHEMBL24577895 0.82 KDM4E (0.57) HSD17B10ITGB3ITGA2BKDM4EALOX15
SCHEMBL30148840 0.80 HSD17B10 (0.46) HSD17B10ITGB3ITGA2BKDM4EGLA
SCHEMBL14671161 0.79 ITGB3 (0.53) HSD17B10ITGB3ITGA2BEGLN1TSHR
SCHEMBL28518764 0.79 HSD17B10 (0.47) HSD17B10ITGB3ITGA2BGLA
SCHEMBL17792881 0.78 CYP1A2 (0.55) ITGB3ITGA2BGLACYP2D6S1PR5
SCHEMBL23774479 0.76 HSD17B10 (0.44) HSD17B10ITGB3ITGA2BEGLN1TSHR
SCHEMBL14671193 0.75 ITGB3 (0.42) HSD17B10ITGB3ITGA2BEGLN1TSHR
SCHEMBL20793540 0.74 HSD17B10 (0.42) HSD17B10ITGB3ITGA2BEGLN1TSHR

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-112279848-A Pan-JAKs inhibitor and application thereof 四川海思科制药有限公司 2021-01-29 CN disclosed