SCHEMBL5300499

SCHEMBL5300499

Cc1cc(OC(=O)Cc2ccccc2)cc(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49
CNR2 P34972 2/20 0.46
CYP19A1 P11511 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.43
CNR1 P21554 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL11417510 0.91 TSHR (0.54) SMN1; SMN2TSHRCNR2CYP19A1L3MBTL1
SCHEMBL1640435 0.79 SMN1; SMN2 (0.61) SMN1; SMN2TSHRCYP19A1L3MBTL1KDM4E
SCHEMBL29393816 0.79 SMN1; SMN2 (0.61) SMN1; SMN2TSHRCYP19A1L3MBTL1KDM4E
SCHEMBL789755 0.76 SMN1; SMN2 (0.60) SMN1; SMN2TSHRCNR2CYP19A1L3MBTL1
SCHEMBL5293036 0.75 TSHR (0.53) SMN1; SMN2TSHRCNR2CYP19A1L3MBTL1
SCHEMBL27858507 0.75 CYP19A1 (0.73) SMN1; SMN2TSHRCYP19A1L3MBTL1KMT2A
SCHEMBL8862351 0.75 SMN1; SMN2 (0.55) SMN1; SMN2TSHRCYP19A1L3MBTL1ATM
SCHEMBL27673606 0.74 CYP19A1 (0.55) SMN1; SMN2TSHRCYP19A1L3MBTL1ATM
SCHEMBL5301637 0.74 LMNA (0.50) SMN1; SMN2CYP19A1KDM4EKMT2A
Lactic Acid SCHEMBL3196472 0.73 CYP19A1 (0.61) SMN1; SMN2TSHRCYP19A1L3MBTL1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO claimed
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO disclosed