SCHEMBL11334052

SCHEMBL11334052

COC(=O)COc1c(C)cc(C(C)=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 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
SCHEMBL4289353 0.84 KMT2A (0.42) LMNAKMT2AMEN1ALDH1A1POLB
SCHEMBL15516922 0.84 MMP1 (0.48) MMP1MMP9MMP8LMNAKMT2A
SCHEMBL11332162 0.82 HSD17B10 (0.46) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL3681218 0.82 HSP90AB1 (0.47) MMP1MMP9MMP8LMNAKMT2A
SCHEMBL7334329 0.81 LMNA (0.54) LMNAKMT2AKDM4EALDH1A1
SCHEMBL4677835 0.81 MMP1 (0.46) MMP1MMP9MMP8LMNAKMT2A
SCHEMBL15517469 0.81 LMNA (0.53) MMP1MMP9MMP8LMNAKMT2A
SCHEMBL15516697 0.81 KMT2A (0.56) MMP1MMP9MMP8LMNAKMT2A
SCHEMBL15516622 0.79 MMP1 (0.45) MMP1MMP9MMP8LMNAKMT2A
SCHEMBL7331449 0.79 VCAM1 (0.41) LMNAKMT2AKDM4EMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54122724-A — — None — — JP disclosed
US-4244731-A APPLYING A CARBOXY DERIVATIVE OF A 2,6-DIMETHYLPHENOXY COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-13 — — US disclosed
JP-S54122724-A PLANT GROWTH REGULATOR SUMITOMO CHEM CO LTD 1979-09-22 — — JP disclosed
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