SCHEMBL28178693

SCHEMBL28178693

O=C(O)COc1ccccc1Cl.[NaH]

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.66
KMT2A Q03164 3/20 0.61
TDP1 Q9NUW8 4/20 0.61
RAB9A P51151 2/20 0.59
POLB P06746 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GLA P06280 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.57
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.55
RECQL P46063 1/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
TSHR P16473 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL101520 0.98 PTGDR2 (0.68) PTGDR2KMT2ATDP1RAB9APOLB
SCHEMBL28131537 0.96 PTGDR2 (0.66) PTGDR2KMT2ATDP1RAB9APOLB
2,4-Dichlorophenoxyacetic Acid SCHEMBL30969691 0.87 TDP1 (0.84) PTGDR2KMT2ATDP1SMN1; SMN2MEN1
SCHEMBL27372722 0.85 KMT2A (0.62) PTGDR2KMT2ATDP1POLBSMN1; SMN2
SCHEMBL12147210 0.84 PTGDR2 (0.60) PTGDR2KMT2ATDP1POLBSMN1; SMN2
SCHEMBL340762 0.83 L3MBTL1 (0.80) PTGDR2KMT2ATDP1POLBSMN1; SMN2
SCHEMBL29682135 0.83 L3MBTL1 (0.80) PTGDR2KMT2ATDP1POLBSMN1; SMN2
SCHEMBL692136 0.83 KMT2A (0.65) PTGDR2KMT2ATDP1POLBSMN1; SMN2
SCHEMBL3254718 0.82 MEN1 (0.58) KMT2ATDP1RAB9APOLBSMN1; SMN2
SCHEMBL28030039 0.82 L3MBTL1 (0.53) PTGDR2KMT2ATDP1RAB9APOLB

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
CN-107494558-A A kind of herbicide granule containing pretilachlor, pyraclonil and mesotrione 安徽圣丰生化有限公司 2017-12-22 CN disclosed
CN-107488108-A A kind of synthetic method of chloro phenoxy acetic acid or chlorophenol 上海泰禾国际贸易有限公司 2017-12-19 CN disclosed
CN-107136077-A A kind of composition containing methyl jasmonate 广西南宁益土生物科技有限责任公司 2017-09-08 CN disclosed