SCHEMBL9214712

SCHEMBL9214712

CCCCCCCCCCCCCCCCCCOC(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 3/20 0.40
TP53 P04637 1/20 0.40
FAAH O00519 6/20 0.39
NR1I2 O75469 2/20 0.39
CHRM2 P08172 2/20 0.39
ADRA2A P08913 2/20 0.39
OPRK1 P41145 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MLNR O43193 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL9226771 0.92 MAPK1 (0.50) MAPK1LTA4HALDH1A1ALOX15TSHR
SCHEMBL1224411 0.86 MAPK1 (0.56) MAPK1ALDH1A1ALOX15LMNACHRM2
SCHEMBL5820348 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR
SCHEMBL8142505 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR
SCHEMBL4803716 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR
SCHEMBL25077435 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR
SCHEMBL20072694 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR
SCHEMBL25077100 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR
SCHEMBL21411547 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR
SCHEMBL5820308 0.83 KIF11 (0.55) MAPK1LTA4HALDH1A1LMNATSHR

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-1995003891-A1 ARYL ETHER MONOSULFONATE COLLECTORS USEFUL IN THE FLOTATION OF MINERALS THE DOW CHEMICAL COMPANY (US) 1995-02-09 WO disclosed