SCHEMBL9617783

SCHEMBL9617783

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.45
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 8/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL28120832 0.88 EPHX1 (0.47) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL18420028 0.88 EPHX1 (0.47) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL9474827 0.83 EPHX1 (0.44) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL4108362 0.79 EPHX1 (0.40) EPHX1CYP19A1ALDH1A1HPGDMAPT
Demannose SCHEMBL9474820 0.79 EPHX1 (0.44) EPHX1CYP19A1ALDH1A1HPGDMAPT
Sorbitol SCHEMBL4108358 0.79 EPHX1 (0.44) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL9648881 0.79 EPHX1 (0.49) EPHX1CYP19A1LMNA
SCHEMBL16194851 0.78 EPHX1 (0.61) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL6387314 0.78 EPHX1 (0.61) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL9617782 0.78 EPHX1 (0.43) 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 8 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
JP-4267870-A None JP disclosed
JP-H04267870-A SMOKING COMPOSITION CONTAINING MENTHOL RELEASING ADDITIVE PHILIP MORRIS PROD INC 1992-09-24 JP disclosed
US-5139034-A Mixture of tobacco filler and menthyloxy carbonylglucose compounds PHILIP MORRIS INCORPORATED (US) 1992-08-18 US disclosed
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