SCHEMBL9692745

SCHEMBL9692745

CCOC(=O)CC1Cc2ccccc2OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
POLB P06746 3/20 0.40
RECQL P46063 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 3/20 0.39
APEX1 P27695 2/20 0.39
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9692444 0.83 HIF1A (0.39) SIGMAR1ALDH1A1MAPTGAAPOLB
SCHEMBL16797645 0.80 SIGMAR1 (0.53) SIGMAR1KCNH2GRIN2BALDH1A1MAPT
SCHEMBL16809670 0.77 SIGMAR1 (0.52) SIGMAR1KCNH2GRIN2BALDH1A1MAPT
SCHEMBL9692382 0.76 SMN1; SMN2 (0.37) POLBKDM4ELMNASMN1; SMN2
SCHEMBL9691985 0.75 LTA4H (0.37) POLBKDM4ELMNASMN1; SMN2
SCHEMBL16809563 0.75 KCNH2 (0.53) SIGMAR1KCNH2GRIN2BALDH1A1MAPT
SCHEMBL16809424 0.74 KCNH2 (0.55) SIGMAR1KCNH2GRIN2BALDH1A1MAPT
Hydrochloric Acid SCHEMBL9692609 0.74 LTA4H (0.37) POLBKDM4ELMNASMN1; SMN2
SCHEMBL9690440 0.74 SMN1; SMN2 (0.34) POLBKDM4ELMNATSHRSMN1; SMN2
SCHEMBL9691921 0.72 HTT (0.35) KCNH2ALDH1A1POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed