SCHEMBL10754269

SCHEMBL10754269

C=C(CCCc1ccccn1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2C19 P33261 1/20 0.67
HRH1 P35367 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPRA P18433 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7073595 0.92 CYP1A2 (0.55) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL6687222 0.84 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL3673389 0.84 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL7206845 0.83 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL9774 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL6196923 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL10764739 0.80 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL7167984 0.79 CYP1A2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL2302450 0.79 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL3513717 0.79 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1

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-4714532-A INCORPORATING OLIGOMER OF 1,3-BUTADIENE AKZO NV (NL) 1987-12-22 US disclosed