SCHEMBL17066928

SCHEMBL17066928

CCC1C(=O)Nc2c1ccc(C)c2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PGR P06401 1/20 0.40
TP53 P04637 3/20 0.40
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAPDH P04406 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
HSPA8 P11142 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
NR4A1 P22736 1/20 0.34
DUSP1 P28562 1/20 0.34
APOBEC3A P31941 1/20 0.34
PTPN7 P35236 1/20 0.34
RECQL P46063 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
SCHEMBL2987129 0.83 ALDH1A1 (0.44) MEN1KMT2APGRTP53POLB
SCHEMBL15730214 0.77 KDM4E (0.43) MEN1KMT2AKDM4EALOX15HSD17B10
SCHEMBL23501955 0.75 PGR (0.33) MEN1KMT2AKDM4EPGRTP53
SCHEMBL23835719 0.75 PGR (0.52) MEN1KMT2AKDM4EHSD17B10PGR
SCHEMBL17066904 0.72 ALDH1A1 (0.51) MEN1KMT2AHSD17B10PGRTP53
SCHEMBL18854050 0.69 PGR (0.50) KDM4EPGRTP53POLBMAPT
SCHEMBL2693278 0.66 IDO1 (0.64) KDM4EPGRMAPTALDH1A1L3MBTL1
SCHEMBL24019919 0.66 PGR (0.57) PGRTP53POLBMAPTALDH1A1
SCHEMBL23835758 0.66 PGR (0.43) KDM4EPGRTP53POLBMAPT
SCHEMBL2988866 0.66 PGR (0.57) PGRTP53POLBMAPTALDH1A1

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
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed