SCHEMBL11076811

SCHEMBL11076811

CCCCCc1cc(OCCCC(=O)O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.68
CNR1 P21554 8/20 0.67
ABHD12 Q8N2K0 3/20 0.67
ABHD6 Q9BV23 3/20 0.67
FAAH O00519 2/20 0.67
NR1I2 O75469 1/20 0.67
LDHA P00338 1/20 0.67
GLRA1 P23415 1/20 0.67
GPR183 P32249 1/20 0.67
DRD3 P35462 1/20 0.67
ENPP2 Q13822 1/20 0.67
GPR18 Q14330 1/20 0.67
TRPM8 Q7Z2W7 1/20 0.67
GPR55 Q9Y2T6 1/20 0.67

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
SCHEMBL11076813 1.00 CNR2 (0.68) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL24518125 0.91 CNR2 (0.73) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL25791579 0.90 CNR2 (0.66) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL25243340 0.89 CNR2 (0.65) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL11937356 0.89 CNR2 (0.67) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL31545263 0.88 CNR2 (0.71) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL19129031 0.87 CNR2 (0.73) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL31545433 0.87 CNR2 (0.73) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL31545449 0.87 CNR2 (0.70) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL31545323 0.86 CNR2 (0.69) CNR2CNR1ABHD12ABHD6FAAH

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
US-4438207-A RADIOACTIVE IODINE LABELED HOFFMANN-LA ROCHE INC. (US) 1984-03-20 US claimed
US-4438207-A RADIOACTIVE IODINE LABELED HOFFMANN-LA ROCHE INC. (US) 1984-03-20 US disclosed
EP-0027567-B1 TETRAHYDROCANNABINOL DERIVATIVES, 125I-LABELED TETRAHYDROCANNABINOL DERIVATIVES, IMMUNOGENS YIELDING ANTIBODIES AND RADIOIMMUNOASSAY FOR DETECTING CANNABINOIDS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-05-04 EP disclosed
EP-0027567-A1 Tetrahydrocannabinol derivatives, 125I-labeled tetrahydrocannabinol derivatives, immunogens yielding antibodies and radioimmunoassay for detecting cannabinoids F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-29 EP disclosed