SCHEMBL9778707

SCHEMBL9778707

CCC1(c2ccc(OCc3ccccc3)cc2)SCCS1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAOB P27338 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOA P21397 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL9778544 0.94 MMP2 (0.46) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL9778956 0.87 HPGD (0.46) LMNAMAOBSMN1; SMN2MAOAMAPT
SCHEMBL9778769 0.82 MMP2 (0.54) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL9778801 0.82 HRH3 (0.47) LMNAMAOBSMN1; SMN2MAOAMAPT
SCHEMBL9778757 0.77 MMP2 (0.51) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL30988239 0.76 LMNA (0.58) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL339813 0.73 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.73 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9778826 0.72 PPARA (0.43) LMNACYP1A2HIF1AMAOBSMN1; SMN2
SCHEMBL11293541 0.71 LMNA (0.67) 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
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed