SCHEMBL30745944

SCHEMBL30745944

COC(=O)N1CC2(CCC2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.57
CYP1A2 P05177 9/20 0.57
CYP2D6 P10635 9/20 0.57
ALDH1A1 P00352 4/20 0.57
USP2 O75604 2/20 0.56
CYP3A4 P08684 9/20 0.51
CYP2C19 P33261 8/20 0.51
TSHR P16473 6/20 0.51
HSD17B10 Q99714 3/20 0.50
HIF1A Q16665 2/20 0.48
HPGD P15428 1/20 0.46

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
SCHEMBL29424710 0.96 CYP2C9 (0.57) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL29424690 0.86 USP2 (0.70) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL18517456 0.82 CYP3A4 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL30484336 0.82 CYP1A2 (0.45) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL29891860 0.82 CYP1A2 (0.65) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL15986907 0.80 CYP2C9 (0.44) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL29424723 0.79 TSHR (0.44) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL19504452 0.78 USP2 (0.56) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL29700106 0.78 CYP1A2 (0.45) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL16075034 0.78 USP2 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN claimed
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN disclosed