SCHEMBL23635908

SCHEMBL23635908

COc1cc(C)c(CC(O)c2cc(OC)c(OC)cc2C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TRAP1 Q12931 1/20 0.38
CYP3A4 P08684 1/20 0.36

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
SCHEMBL25716857 0.85 HTR2A (0.34) HTR2ATAAR1MGAMGAASI
SCHEMBL28663880 0.80 HTR2A (0.47) HTR2ATAAR1TRAP1CYP3A4
SCHEMBL11812440 0.80 F2 (0.44) TRAP1
SCHEMBL18867916 0.76 HTR2A (0.50) HTR2ATAAR1TRAP1
SCHEMBL29180322 0.73 TOP1 (0.43) MGAMGAASIMGAM2TRAP1
SCHEMBL30859403 0.73 TOP1 (0.43) MGAMGAASIMGAM2TRAP1
SCHEMBL24783647 0.73 TOP1 (0.43) MGAMGAASIMGAM2TRAP1
SCHEMBL5300541 0.73 HTR2A (0.72) HTR2ATAAR1
SCHEMBL12722553 0.70 HTR2A (0.44) HTR2A
SCHEMBL27991671 0.69 POLB (0.42) MGAMGAASIMGAM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214510-A1 NANOFIBRILLAR CELLULOSE HYDROGEL UPM-KYMMENE CORPORATION (FI) 2021-07-15 US disclosed