SCHEMBL7224738

SCHEMBL7224738

CCc1cccc(C2(C)OCCCO2)c1NC(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.36
TEAD1 P28347 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7223274 0.95 SMN1; SMN2 (0.43) THRBSMN1; SMN2ALOX15TSHRCYP2C19
SCHEMBL7223109 0.81 SMN1; SMN2 (0.42) THRBSMN1; SMN2ALOX15TSHRCYP2C19
SCHEMBL7218518 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALOX15CYP2C19ALDH1A1LMNA
SCHEMBL7225461 0.78 SMN1; SMN2 (0.64) SMN1; SMN2TDP1ALDH1A1LMNATEAD1
SCHEMBL6769239 0.77 SMN1; SMN2 (0.59) THRBSMN1; SMN2ALOX15TSHRCYP2C19
SCHEMBL6546027 0.71 POLB (0.61) SMN1; SMN2ALOX15TDP1ALDH1A1LMNA
SCHEMBL30323772 0.71 POLB (0.61) SMN1; SMN2ALOX15TDP1ALDH1A1LMNA
SCHEMBL7218182 0.71 SMN1; SMN2 (0.39) SMN1; SMN2ALOX15CYP2C19ALDH1A1LMNA
SCHEMBL27877978 0.70 SMN1; SMN2 (0.51) THRBSMN1; SMN2ALOX15TSHRCYP2C19
SCHEMBL7219654 0.68 SMN1; SMN2 (0.41) SMN1; SMN2ALOX15CYP2C19ALDH1A1LMNA

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed