SCHEMBL28052034

SCHEMBL28052034

Cc1ccccc1OP(=O)(O)OP(O)(O)=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NOTUM Q6P988 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
INPPL1 O15357 1/20 0.35
INPP5B P32019 1/20 0.35
INPP5A Q14642 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
PDE3A Q14432 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11801740 0.86 SRC (0.44) SRCKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL497602 0.85 KDM4E (0.47) SRCKDM4EMAPTCYP1A2ALDH1A1
Fluoride SCHEMBL31047191 0.83 KDM4E (0.46) SRCKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL10455276 0.81 TSHR (0.41) SRCKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL21875815 0.80 KDM4E (0.44) SRCKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL28674629 0.79 KDM4E (0.41) SRCKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL456321 0.79 SRC (0.46) SRCKDM4EALDH1A1NOTUMCYP3A4
SCHEMBL29070725 0.79 KDM4E (0.43) SRCKDM4EMAPTCYP1A2ALDH1A1
Toluene SCHEMBL28427945 0.79 GPR84 (0.44) SRCKDM4EMAPTALDH1A1NOTUM
SCHEMBL1100136 0.77 INPPL1 (0.57) SRCKDM4EMAPTCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103781888-B Biodegradable lubricating oil composition IDEMITSU KOSAN CO.,LTD. (JP) 2016-01-13 CN disclosed