SCHEMBL28812685

SCHEMBL28812685

CCC1(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
ELANE P08246 1/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 3/20 0.39
OPRM1 P35372 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.38
SLC22A1 O15245 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
SCHEMBL29222876 0.84 SMN1; SMN2 (0.46) L3MBTL1MAPTKDM4ESMN1; SMN2TDP1
SCHEMBL29222882 0.83 KMT2A (0.48) MAPTKDM4ESMN1; SMN2TDP1ALDH1A1
SCHEMBL10696390 0.83 HSD17B10 (0.41) CYP2D6KDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL21612891 0.82 GAA (0.47) L3MBTL1POLBMAPTKDM4ETSHR
SCHEMBL8392193 0.82 L3MBTL1 (0.40) L3MBTL1POLBCYP2D6MAPTKDM4E
SCHEMBL21050059 0.81 FAAH (0.43) POLBKDM4ETSHRTP53
SCHEMBL27341313 0.81 LMNA (0.44) L3MBTL1POLBCYP2D6KDM4ETSHR
SCHEMBL16879859 0.79 MMP2 (0.43) POLBELANEMAPTSMN1; SMN2ALDH1A1
SCHEMBL18259718 0.77 L3MBTL1 (0.51) L3MBTL1POLBELANECYP2D6MAPT
SCHEMBL10695503 0.77 CYP19A1 (0.41) CYP2D6KDM4ETSHRSMN1; SMN2ALDH1A1

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-102413694-B Imidazole derivatives useful as modulators and imaging agents for FAAH MERCK SHARP & DOHME 2014-12-10 CN disclosed