SCHEMBL7991612

SCHEMBL7991612

CC(C)C1CC[C@@H](C)CC1OC(=O)CCC(=O)OC1C[C@H](C)CCC1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.61
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 8/20 0.54
TSHR P16473 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL7998364 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL7998362 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL3397274 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL7991614 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL5712935 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL23255563 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL1665360 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL3424391 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL21610695 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL79841 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976108-B2 Ethanol-free microemulsion perfuming compositions FIRMENICH SA (CH) 2018-05-22 US disclosed
EP-2931228-B1 ETHANOL-FREE MICROEMULSION PERFUMING COMPOSITIONS. FIRMENICH & CIE (CH) 2018-01-31 EP disclosed
US-20170267943-A1 ETHANOL-FREE MICROEMULSION PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2017-09-21 US disclosed
US-9701924-B2 Ethanol-free microemulsion perfuming compositions FIRMENICH SA (CH) 2017-07-11 US disclosed
US-20150322374-A1 ETHANOL-FREE MICROEMULSION PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2015-11-12 US disclosed
US-6294577-B1 TREATING THE OBJECT OR AREA WITH ANT REPELLENT AGENT SELECTED FROM DIMETHYL SUCCINATE, DIETHYL ADIPATE, DIETHYL MALONATE, AND MIXTURES AND CARRIERS FOR REPELLING ANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2001-09-25 US disclosed