SCHEMBL8733208

SCHEMBL8733208

C=C(C)C(=O)OC(C)Cc1ccc(CC(C)OC(=O)C(=C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
LMNA P02545 3/20 0.41
CXCR1 P25024 3/20 0.41
CXCR2 P25025 3/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
NR1I3 Q14994 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CXCL8 P10145 1/20 0.41
LDHA P00338 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL702129 0.93 TSHR (0.37) TSHRPTGS1PTGS2LMNACXCR1
SCHEMBL26861561 0.93 SLC7A5 (0.49) TSHRESR1SLC7A5
SCHEMBL3681972 0.93 LMNA (0.47) TSHRPTGS1LMNASLC7A5NPC1
SCHEMBL28754583 0.92 ACACB (0.43) TSHRPTGS1PTGS2LMNACXCR1
SCHEMBL28801010 0.88 ELANE (0.56) CYP2C9RAB9AELANE
SCHEMBL11138114 0.88 NPSR1 (0.37) TSHRPTGS1PTGS2LMNACXCR1
SCHEMBL27422100 0.87 MAPT (0.41) LMNANPC1RAB9A
SCHEMBL28439356 0.85 SRC (0.40) LDHABLM
SCHEMBL9903748 0.82 MME (0.44) PTGS1PTGS2NPC1RAB9ACTSK
SCHEMBL14524421 0.82 MMP12 (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600269-B1 Soft ocular lens material MENICON CO LTD (JP) 1998-02-04 EP claimed
US-5416180-A Fluorine containing (meth)acrylate polymers MENICON CO., LTD. (JP) 1995-05-16 US claimed
EP-0600269-A2 Soft ocular lens material Menicon Co., Ltd. (JP) 1994-06-08 EP claimed
EP-0600269-B1 Soft ocular lens material MENICON CO LTD (JP) 1998-02-04 EP disclosed
US-5416180-A Fluorine containing (meth)acrylate polymers MENICON CO., LTD. (JP) 1995-05-16 US disclosed
EP-0600269-A2 Soft ocular lens material Menicon Co., Ltd. (JP) 1994-06-08 EP disclosed