SCHEMBL8203713

SCHEMBL8203713

COc1cccc(C2=C(C(C)C)[CH]CC=C2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALKBH3 Q96Q83 1/20 0.37
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36

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
SCHEMBL8200061 0.86 ALDH1A1 (0.33) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL196765 0.66 CYP3A4 (0.73) DYRK1ACLK4NISCHCYP1A1CYP1A2
SCHEMBL29489425 0.66 CYP3A4 (0.73) DYRK1ACLK4NISCHCYP1A1CYP1A2
SCHEMBL8201027 0.66 DYRK1A (0.39) AKR1C3AKR1C2DYRK1ACLK4NISCH
SCHEMBL5887546 0.65 DYRK1A (0.44) DYRK1ACLK4NISCHCYP1A1CYP1A2
SCHEMBL487170 0.65 CYP1A1 (0.53) AKR1C3AKR1C2DYRK1ACLK4CYP1A1
Hydrogen Sulfide SCHEMBL28640169 0.64 CYP3A4 (0.70) DYRK1ACLK4NISCHCYP1A1CYP1A2
Ammonia Solution, Strong SCHEMBL27960505 0.64 CYP3A4 (0.70) DYRK1ACLK4NISCHCYP1A1CYP1A2
SCHEMBL29628977 0.64 CYP3A4 (0.77) DYRK1ACLK4NISCHCYP1A1CYP1A2
SCHEMBL6047660 0.64 ALDH1A1 (0.40) DYRK1ACLK4NISCHCYP1A1CYP1A2

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-6140344-A FOR TREATING PATHOLOGICAL CONDITIONS SUCH AS ASTHMA, RHINITIS, ECZEMA AND PARASITIC INFECTIONS FEATURING TISSUE EOSINOPHILIA SYNTEX (U.S.A.) INC. (US) 2000-10-31 US disclosed