SCHEMBL6941897

SCHEMBL6941897

CCCOC(=O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.51
CYP19A1 P11511 2/20 0.49
ALDH1A1 P00352 8/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
P2RX4 Q99571 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28880174 0.93 EPHX1 (0.55) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL10025182 0.89 EPHX1 (0.47) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL10025184 0.89 EPHX1 (0.47) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL19865132 0.89 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL113398 0.89 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL28260167 0.89 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL906566 0.89 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL12449335 0.89 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL1286336 0.88 EPHX1 (0.53) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL16622496 0.88 EPHX1 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341512-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP disclosed
WO-2002041861-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2002-05-30 WO disclosed
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed
US-4033993-A Cycloalkyl carbonates HENKEL & CIE G.M.B.H. (DT) 1977-07-05 US disclosed