SCHEMBL22701908

SCHEMBL22701908

CC(C)(CN)CC(C)(C)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.47
TACR1 P25103 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PRMT1 Q99873 1/20 0.40
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 1/20 0.37
CA1 P00915 2/20 0.37
MAOB P27338 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14304175 0.84 KDM4E (0.54) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL27382470 0.83 TSHR (0.52) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL18618591 0.83 KDM4E (0.57) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL3334160 0.80 KDM4E (0.53) KDM4EPOLBTSHRTACR1CYP1A2
SCHEMBL16093891 0.80 TSHR (0.52) KDM4EPOLBTSHRTACR1CYP1A2
SCHEMBL13176618 0.80 KDM4E (0.50) KDM4EPOLBTSHRTACR1TAAR1
SCHEMBL15663590 0.79 KDM4E (0.56) KDM4EPOLBTSHRTACR1CYP1A2
SCHEMBL19621150 0.78 TSHR (0.54) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL24219655 0.78 POLB (0.47) KDM4EPOLBTSHRTACR1CA1
SCHEMBL18630911 0.77 KDM4E (0.50) KDM4EPOLBTSHRTACR1CYP1A2

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
WO-2020234208-A1 PROCESS FOR THE PREPARATION OF GALNAC PHOSPHORAMIDITE EPIMERS F. HOFFMANN-LA ROCHE AG (CH) 2020-11-26 WO disclosed