SCHEMBL8459399

SCHEMBL8459399

COc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.66
LMNA P02545 5/20 0.66
CYP19A1 P11511 5/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 3/20 0.66
CYP1B1 Q16678 3/20 0.66
TSHR P16473 3/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 3/20 0.66
SHBG P04278 3/20 0.66
CYP1A1 P04798 2/20 0.66
CYP2C19 P33261 2/20 0.66
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
GAA P10253 2/20 0.66
TP53 P04637 1/20 0.66
NFKB1 P19838 1/20 0.66
THPO P40225 1/20 0.66
GMNN O75496 1/20 0.66

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
SCHEMBL547773 1.00 HSD17B10 (0.66) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL980770 0.92 HSD17B10 (0.64) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL1509625 0.91 HSD17B10 (0.63) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL7621594 0.89 HSD17B10 (0.60) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL11875499 0.89 HSD17B10 (0.67) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL11577800 0.89 HSD17B10 (0.67) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL301391 0.87 LMNA (0.61) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL10711260 0.87 HSD17B10 (0.58) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL29027144 0.87 LMNA (0.61) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL16369629 0.87 HSD17B10 (0.58) HSD17B10LMNACYP19A1CYP1A2CYP3A4

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-5962445-A Treatment of asthma and airway diseases AMRAD OPERATIONS PTY LTD. (AU) 1999-10-05 US disclosed