SCHEMBL9645931

SCHEMBL9645931

CC1CCC(C(C)C)C(OC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
CYP19A1 P11511 2/20 0.42
ALDH1A1 P00352 8/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL29037421 0.86 KDM4E (0.49) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL21705368 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL12449350 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL12449338 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL111203 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL23187788 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL21706015 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL21706014 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL22958632 0.82 CYP19A1 (0.52) EPHX1CYP19A1ALDH1A1HPGDMAPT
Demannose SCHEMBL9474820 0.81 EPHX1 (0.44) EPHX1CYP19A1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5139034-A Mixture of tobacco filler and menthyloxy carbonylglucose compounds PHILIP MORRIS INCORPORATED (US) 1992-08-18 US claimed
EP-0486212-A2 Smoking compositions containing a menthol-release additive Philip Morris Products Inc. (US) 1992-05-20 EP claimed
US-5139034-A Mixture of tobacco filler and menthyloxy carbonylglucose compounds PHILIP MORRIS INCORPORATED (US) 1992-08-18 US disclosed
EP-0486212-A2 Smoking compositions containing a menthol-release additive Philip Morris Products Inc. (US) 1992-05-20 EP disclosed
EP-0486212-A2 Smoking compositions containing a menthol-release additive Philip Morris Products Inc. (US) 1992-05-20 EP disclosed