8-Hydroxy-15,16-Bisnor-11-Labden-13-One

8-Hydroxy-15,16-Bisnor-11-Labden-13-One

SCHEMBL20640825

CC(=O)/C=C/[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.55
PTPN1 P18031 2/20 0.55
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
UGT2B7 P16662 3/20 0.37
IDO1 P14902 2/20 0.37
TRPA1 O75762 1/20 0.36
PIK3CB P42338 1/20 0.34
TRPM2 O94759 1/20 0.34
PLA2G2A P14555 1/20 0.34
EPAS1 Q99814 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL3910428 0.81 ALDH1A1 (0.41) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL13923443 0.81 ALDH1A1 (0.41) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL3910431 0.81 ALDH1A1 (0.41) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL13923433 0.80 IDO1 (0.47) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9880750 0.80 IDO1 (0.47) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL6789232 0.80 IDO1 (0.47) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL15886592 0.80 IDO1 (0.47) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL27616566 0.80 IDO1 (0.47) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL13923432 0.80 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL13923429 0.80 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200229370-A1 HYBRID TOBACCO PLANTS FROM CROSSES BETWEEN FLUE-CURED AND AIR-CURED TOBACCO TYPES SOUZA CRUZ LTDA (BR) 2020-07-23 US disclosed
EP-3651567-A1 HYBRID TOBACCO PLANTS FROM CROSSES BETWEEN FLUE-CURED AND AIR-CURED TOBACCO TYPES British American Tobacco (Investments) Limited (GB) 2020-05-20 EP disclosed
WO-2019012261-A1 HYBRID TOBACCO PLANTS FROM CROSSES BETWEEN FLUE-CURED AND AIR-CURED TOBACCO TYPES BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2019-01-17 WO disclosed