SCHEMBL9364236

SCHEMBL9364236

CC(C)c1ccc2c(c1O)CCC1C(C)(CO)CCCC21C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.72
MAPT P10636 5/20 0.72
USP2 O75604 4/20 0.72
ALOX15 P16050 2/20 0.72
HPGD P15428 1/20 0.72
KARS1 Q15046 1/20 0.60
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TP53 P04637 4/20 0.52
MAPK1 P28482 3/20 0.52
HSP90AA1 P07900 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
AR P10275 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47

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
19-Hydroxytotarol SCHEMBL13423507 0.84 CYP3A4 (1.00) CYP3A4MAPTUSP2ALOX15HPGD
19-Hydroxytotarol SCHEMBL12998342 0.84 CYP3A4 (1.00) CYP3A4MAPTUSP2ALOX15HPGD
SCHEMBL9359643 0.80 CYP3A4 (0.53) CYP3A4MAPTUSP2ALOX15HPGD
SCHEMBL26078475 0.78 CYP3A4 (0.50) CYP3A4MAPTUSP2ALOX15HPGD
18-Hydroxyferruginol SCHEMBL18290210 0.77 KARS1 (0.67) CYP3A4MAPTUSP2ALOX15HPGD
18-Hydroxyferruginol SCHEMBL32666150 0.77 KARS1 (0.67) CYP3A4MAPTUSP2ALOX15HPGD
SCHEMBL29552479 0.76 CYP3A4 (0.56) CYP3A4MAPTUSP2ALOX15HPGD
Pomiferin A SCHEMBL4549111 0.75 KARS1 (1.00) CYP3A4MAPTALOX15KARS1MEN1
Pomiferin A SCHEMBL13039025 0.75 KARS1 (1.00) CYP3A4MAPTALOX15KARS1MEN1
Pomiferin A SCHEMBL2728630 0.75 KARS1 (1.00) CYP3A4MAPTALOX15KARS1MEN1

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
EP-0472733-B1 PHENANTHRENE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1994-12-28 EP disclosed
EP-0472733-A1 PHENANTHRENE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 EP disclosed