SCHEMBL4554316

SCHEMBL4554316

CC1(C)CC=C(c2ccc(OCc3ccccc3)cc2)CC1.CC1(C)CCC(O)(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.41
MMP2 P08253 2/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CCR1 P32246 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
MCL1 Q07820 1/20 0.37
MAOB P27338 1/20 0.37
GSTP1 P09211 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL3140318 0.89 GSTP1 (0.46) PRMT5MMP2MMP13LMNACYP1A2
SCHEMBL3133827 0.86 LMNA (0.51) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL5382929 0.77 GSTP1 (0.45) PRMT5MMP2MMP13LMNACYP1A2
SCHEMBL5691564 0.75 MMP13 (0.50) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL16553890 0.74 LMNA (0.56) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL21874079 0.73 LMNA (0.51) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL10041856 0.73 LMNA (0.54) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL17072362 0.73 LMNA (0.54) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL3133794 0.72 MMP2 (0.47) MMP2MMP13LMNACYP1A2PTGS1
SCHEMBL4438507 0.71 FFAR4 (0.38) PRMT5MMP2MMP13LMNACYP1A2

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
EP-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 WO disclosed