SCHEMBL16484253

SCHEMBL16484253

CCC[C@@H](O)CC(=O)C[C@H]1C(=O)Nc2cccc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.37
HTR1A P08908 4/20 0.37
HTR2C P28335 4/20 0.37
HTR7 P34969 4/20 0.37
HTR1D P28221 3/20 0.37
HTR2A P28223 1/20 0.37
HTR6 P50406 1/20 0.37
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 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
SCHEMBL24450201 0.74 HTR5A (0.50) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL16484255 0.74 NQO2 (0.38) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL16484488 0.70 IDO1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL24112590 0.69 IDO1 (0.64) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL30310788 0.69 IDO1 (0.64) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL8832651 0.66 IDO1 (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL24019656 0.66 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24740178 0.66 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24112728 0.65 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24112229 0.65 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7HTR1D

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