SCHEMBL30684644

SCHEMBL30684644

CCOC(=O)c1cnc2cccc(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ABCB1 P08183 1/20 0.43
HTT P42858 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CREBBP Q92793 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
SCHEMBL29156396 1.00 MAPT (0.45) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL10465583 0.90 ALDH1A1 (0.52) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL2199853 0.80 CA12 (0.51) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL9103181 0.79 MAPT (0.50) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL2202907 0.79 MAOB (0.50) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL6421455 0.78 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1KDM4ERXFP1
SCHEMBL5488554 0.78 CYP2C9 (0.47) ALDH1A1KDM4ETSHRHSD17B10MAOB
SCHEMBL2199970 0.78 PDGFRB (0.52) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL16620896 0.75 MAPT (0.46) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL8911265 0.74 ALDH1A1 (0.53) MAPTSMN1; SMN2LMNAPOLBALDH1A1

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
CN-110278711-B Tricyclosulfones as rory modulators 百时美施贵宝公司 2023-12-15 CN disclosed