SCHEMBL2462940

SCHEMBL2462940

CC(C)Oc1cc(CC#Cc2ccccc2)cc(OC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ACACB O00763 5/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
LMNA P02545 1/20 0.38
PYCR1 P32322 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL2465614 0.81 TSHR (0.46) HTR2ASIGMAR1CYP1A2CYP3A4CYP2C9
SCHEMBL2466860 0.72 DHFR (0.39) ACACBLMNAFFAR1
SCHEMBL3397750 0.70 CYP1A2 (0.58) HTR2ASIGMAR1CYP1A2CYP3A4CYP2C9
SCHEMBL21244052 0.69 LTA4H (0.55) SIGMAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5966253 0.69 DHFR (0.48) HTR2ALMNA
SCHEMBL20438072 0.68 HTR2A (0.53) HTR2ASIGMAR1CYP1A2CYP3A4CYP2C9
SCHEMBL8370932 0.67 ALDH1A1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28772085 0.67 ASIC3 (0.54) HTR2ASIGMAR1CYP1A2CYP3A4CYP2C9
SCHEMBL19223053 0.67 MAOB (0.53) LMNAFFAR1FFAR4PTGES
SCHEMBL143711 0.67 ACACB (0.51) SIGMAR1ACACBLMNAPTGESKMT2A

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-2011119778-A2 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS SCHRODI YANN (US) 2011-09-29 WO disclosed