SCHEMBL22874366

SCHEMBL22874366

COC(=O)C12CCCC(C1)C(NC(=O)CNC(=O)OC(C)(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
CCR2 P41597 1/20 0.31
DGAT1 O75907 1/20 0.31
BTK Q06187 1/20 0.30
CACNA1H O95180 1/20 0.30
TLR2 O60603 1/20 0.30
TLR1 Q15399 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL19188274 0.77 BTK (0.41) HSD11B1EPHX1KMT2ADGAT1BTK
SCHEMBL22874207 0.69 CACNA1H (0.38) EPHX1MEN1ALDH1A1TSHRKMT2A
SCHEMBL2002673 0.68 EPHX1 (0.55) EPHX1MEN1ALDH1A1TSHRKMT2A
SCHEMBL12942650 0.68 EPHX1 (0.67) EPHX1ALDH1A1KMT2ABTKGAA
SCHEMBL23562416 0.68 HSD11B1 (0.49) HSD11B1MEN1KMT2ABTKGAA
SCHEMBL24337073 0.68 HSD11B1 (0.49) HSD11B1MEN1KMT2ABTKGAA
SCHEMBL23329861 0.67 CYP4F2 (0.33)
SCHEMBL20832773 0.66 CA1 (0.38) HSD11B1MEN1KMT2ABTKGAA
SCHEMBL20113152 0.66 HSD11B1 (0.32) HSD11B1
SCHEMBL19189061 0.65 SLC6A12 (0.34) ALDH1A1TSHR

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
WO-2021004516-A1 METHOD FOR PREPARING 2-INDOLINOSPIRONE COMPOUND AND INTERMEDIATE THEREOF ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-01-14 WO disclosed