SCHEMBL9129752

SCHEMBL9129752

CC(C)C1(C2(C)CC2c2ccc(Cl)cc2)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.40
RCOR1 Q9UKL0 5/20 0.40
MAPK1 P28482 2/20 0.37
LIG1 P18858 1/20 0.36
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRNB2 P17787 2/20 0.33
SLC6A2 P23975 2/20 0.33
CHRNB4 P30926 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRND Q07001 2/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4339855 0.69 KDM1A (0.53) KDM1ARCOR1MAPK1LIG1LMNA
SCHEMBL9128583 0.67 MAPK1 (0.41) KDM1ARCOR1MAPK1LIG1HPGD
Bicarbonate SCHEMBL10971534 0.62 MAPK1 (0.50) KDM1ARCOR1MAPK1LIG1LMNA
SCHEMBL28736490 0.61 KDM1A (0.41) KDM1ARCOR1MAPK1LIG1LMNA
SCHEMBL9515156 0.61 KDM1A (0.49) KDM1ARCOR1MAPK1LIG1MEN1
SCHEMBL9515155 0.61 KDM1A (0.49) KDM1ARCOR1MAPK1LIG1MEN1
SCHEMBL12013615 0.59 LMNA (0.46) KDM1ARCOR1MAPK1LMNAMEN1
SCHEMBL10071236 0.59 MEN1 (0.47) KDM1ARCOR1MAPK1LIG1MEN1
SCHEMBL9719713 0.59 ADRB2 (0.38) MAPK1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4564142 0.59 KDM1A (0.39) KDM1ARCOR1MAPK1LIG1SLC6A2

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