SCHEMBL9128583

SCHEMBL9128583

CC(C)C(=O)C1(C)CC1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KDM1A O60341 3/20 0.41
RCOR1 Q9UKL0 3/20 0.41
LIG1 P18858 1/20 0.41
BRD4 O60885 1/20 0.39
CCR2 P41597 1/20 0.38
P2RX7 Q99572 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.36
CCR1 P32246 1/20 0.36
TP53 P04637 3/20 0.35
MDM2 Q00987 3/20 0.35
TACR3 P29371 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
Bicarbonate SCHEMBL10971534 0.74 MAPK1 (0.50) MAPK1KDM1ARCOR1LIG1CCR2
SCHEMBL4339855 0.70 KDM1A (0.53) MAPK1KDM1ARCOR1LIG1
SCHEMBL10750020 0.67 LIG1 (0.46) MAPK1KDM1ARCOR1LIG1GAA
SCHEMBL9129752 0.67 KDM1A (0.40) MAPK1KDM1ARCOR1LIG1TP53
Bicarbonate SCHEMBL11481432 0.66 MAPK1 (0.49) MAPK1KDM1ARCOR1LIG1CCR2
SCHEMBL12158567 0.66 HSD11B1 (0.51) CCR2SMN1; SMN2
SCHEMBL28317778 0.66 MAPK1 (0.45) MAPK1KDM1ARCOR1LIG1CCR2
SCHEMBL28521164 0.66 KDM1A (0.45) MAPK1KDM1ARCOR1LIG1ADAMTS5
SCHEMBL9515156 0.66 KDM1A (0.49) MAPK1KDM1ARCOR1LIG1PTGS2
SCHEMBL9515155 0.66 KDM1A (0.49) MAPK1KDM1ARCOR1LIG1PTGS2

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
US-5380741-A Crop treatment method RHONE-POULENC AGROCHIMIE (FR) 1995-01-10 US disclosed