SCHEMBL30755013

SCHEMBL30755013

CC(C)COC1CC(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 4/20 0.32
ALDH1A1 P00352 3/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
MAPT P10636 1/20 0.32
APLNR P35414 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
NPC1 O15118 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL31381268 1.00 RAB9A (0.36) RAB9APOLBTSHRALDH1A1GRM2
SCHEMBL8969259 0.87 RAB9A (0.36) RAB9APOLBALDH1A1GRM2GRM3
SCHEMBL24954297 0.85 GABRP (0.32) POLBGRM2GRM3MAPT
SCHEMBL26725022 0.84 TSHR (0.35) TSHRALDH1A1
SCHEMBL17079741 0.83 CYP1A2 (0.34) RAB9APOLBTSHR
SCHEMBL25336168 0.77 APLNR (0.34) TSHRALDH1A1APLNR
SCHEMBL25336169 0.77 APLNR (0.34) TSHRALDH1A1APLNR
SCHEMBL28522849 0.74 RAB9A (0.41) RAB9APOLBTSHRALDH1A1NPC1
SCHEMBL1297871 0.74 RAB9A (0.41) RAB9APOLBTSHRALDH1A1NPC1
SCHEMBL30064391 0.73 CYP2D6 (0.43) TSHR

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-2024010015-A1 PYRIMIDINE DERIVATIVES あすか製薬株式会社 2024-01-11 WO disclosed