SCHEMBL16484255

SCHEMBL16484255

CCC[C@@H](O)CC(=O)C[C@H]1C(=O)Nc2ccc(C)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.38
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
PGR P06401 1/20 0.36
MAPT P10636 5/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL14484522 0.77 NQO2 (0.44) NQO2CDYL2CDYLMEN1KMT2A
SCHEMBL24019919 0.74 PGR (0.57) NQO2PGRMAPTTP53POLB
SCHEMBL2988866 0.74 PGR (0.57) NQO2PGRMAPTTP53POLB
SCHEMBL16484253 0.74 HTR5A (0.37) CDYL2CDYLMEN1KMT2APGR
SCHEMBL16484488 0.71 IDO1 (0.46) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL24113511 0.69 IDO1 (0.67) NQO2MEN1KMT2AATMPGR
SCHEMBL30310572 0.69 IDO1 (0.67) NQO2MEN1KMT2AATMPGR
SCHEMBL16484257 0.68 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1455876 0.67 HTR7 (0.47) NQO2PGRMAPTTP53POLB
SCHEMBL8832651 0.67 IDO1 (0.57) MEN1KMT2AMAPTGAAALDH1A1

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-2014058035-A1 NOVEL SPIROOXINDOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2014-04-17 WO disclosed