SCHEMBL11429285

SCHEMBL11429285

CC(C)CCC[C@H]1CC[C@](C)(C(=O)NCC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CDC25A P30304 3/20 0.35
MME P08473 1/20 0.34
GPBAR1 Q8TDU6 5/20 0.33
NR1H4 Q96RI1 3/20 0.33
BMP1 P13497 1/20 0.33
VDR P11473 1/20 0.33
EPHA2 P29317 1/20 0.33
ENPP2 Q13822 1/20 0.32
ABCB11 O95342 1/20 0.32
CCR1 P32246 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CDC25B P30305 1/20 0.31
SLC10A2 Q12908 1/20 0.31
SLC10A1 Q14973 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
SCHEMBL11435968 1.00 MAPT (0.39) MAPTCDC25AMMEGPBAR1NR1H4
SCHEMBL11425966 1.00 MAPT (0.39) MAPTCDC25AMMEGPBAR1NR1H4
SCHEMBL11422602 0.88 TSHR (0.41) MAPTCDC25AGPBAR1VDRALDH1A1
SCHEMBL11422599 0.88 TSHR (0.41) MAPTCDC25AGPBAR1VDRALDH1A1
SCHEMBL11430684 0.87 MAPT (0.43) MAPTCDC25AEPHA2LMNAFNTA
SCHEMBL11425952 0.87 MAPT (0.43) MAPTCDC25AEPHA2LMNAFNTA
SCHEMBL11425948 0.87 MAPT (0.43) MAPTCDC25AEPHA2LMNAFNTA
SCHEMBL11430483 0.86 MAPT (0.42) MAPTCDC25ALMNAFNTAFNTB
SCHEMBL11427404 0.85 EPHX2 (0.40) MAPTNR1H4BMP1ALDH1A1FNTA
SCHEMBL11427402 0.85 EPHX2 (0.40) MAPTNR1H4BMP1ALDH1A1FNTA

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-4228304-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIULCER AGENTS, BACTERICIDES, ANTITHROMBOTIC AGENTS AND FOR LIVER DISORDERS, OR AS SURFACTANTS IN DETERGENTS AND OIL ADDITIVES HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1980-10-14 US disclosed