SCHEMBL9730692

SCHEMBL9730692

COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
CYP19A1 P11511 1/20 0.60
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
ATM Q13315 1/20 0.59
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
ALOX5 P09917 1/20 0.55
OR51E2 Q9H255 1/20 0.55
TTR P02766 1/20 0.53
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL1840837 0.92 MEN1 (0.67) MEN1KMT2ACYP19A1HPGDSMN1; SMN2
SCHEMBL2292369 0.92 CYP19A1 (0.71) MEN1KMT2ACYP19A1HPGDSMN1; SMN2
SCHEMBL30129997 0.92 CYP19A1 (0.71) MEN1KMT2ACYP19A1HPGDSMN1; SMN2
SCHEMBL31511909 0.92 MEN1 (0.67) MEN1KMT2ACYP19A1HPGDSMN1; SMN2
SCHEMBL1039742 0.86 SMN1; SMN2 (0.70) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL29828287 0.85 KMT2A (0.61) MEN1KMT2ACYP19A1SMN1; SMN2ALDH1A1
SCHEMBL10829624 0.85 KMT2A (0.61) MEN1KMT2ACYP19A1SMN1; SMN2ALDH1A1
SCHEMBL4656453 0.85 MEN1 (0.76) MEN1KMT2ACYP19A1HPGDSMN1; SMN2
SCHEMBL31511903 0.85 MEN1 (0.76) MEN1KMT2ACYP19A1HPGDSMN1; SMN2
SCHEMBL21643384 0.84 MEN1 (0.60) MEN1KMT2ACYP19A1HPGDSMN1; SMN2

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-5151420-A Cardiovascular disorders ORION CORPORATION/ORION PHARMACEUTICA (FI) 1992-09-29 US disclosed