SCHEMBL28754205

SCHEMBL28754205

C=C(C)CCc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.54
MIF P14174 8/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
S1PR4 O95977 2/20 0.54
GLA P06280 2/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
S1PR1 P21453 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.52
ESR2 Q92731 1/20 0.48
MAOB P27338 2/20 0.47
PFKFB3 Q16875 1/20 0.47
PTGS1 P23219 1/20 0.47
CA9 Q16790 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL9436016 0.83 KDM4E (0.54) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL29089438 0.83 ADAM17 (0.64) KDM4EMEN1KMT2APOLBMAOB
SCHEMBL15082511 0.82 HSD17B3 (0.59) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL30405545 0.81 HSD17B3 (0.65) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL220708 0.81 HSD17B3 (0.65) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL15084975 0.80 POLB (0.58) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL27844746 0.80 GAA (0.58) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL12433441 0.80 POLB (0.57) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL28164061 0.79 POLB (0.59) HSD17B3MIFKDM4EMEN1S1PR4
SCHEMBL4527127 0.79 HSD17B3 (0.55) HSD17B3MIFKDM4EMEN1S1PR4

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
CN-113527595-B Functionalized organic silicon resin and preparation method and application thereof 中国科学院长春应用化学研究所 2022-06-07 CN disclosed
CN-113527595-A Functionalized organic silicon resin and preparation method and application thereof 中国科学院长春应用化学研究所 2021-10-22 CN disclosed