SCHEMBL5045555

SCHEMBL5045555

ClCC1=C(OCc2ccccc2)[CH]CC=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 1/20 0.34
MAOB P27338 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
MAOA P21397 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL7525635 0.78 MAOB (0.43) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL854325 0.76 APP (0.41) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5601610 0.65 TSHR (0.40) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL703 0.61 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL22369114 0.61 L3MBTL1 (0.43) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3487763 0.61 L3MBTL1 (0.43) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5690860 0.61 MAPT (0.47) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL547985 0.60 HTR1A (0.67) LMNAL3MBTL1MAPTMAPK1TDP1
SCHEMBL7451939 0.60 MEN1 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3275212 0.60 ALOX5 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-2008014240-A2 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-01-31 WO disclosed