SCHEMBL5163771

SCHEMBL5163771

N[CH]CCP(=O)(O)O.N[CH]CCP(=O)(O)O.N[CH]CCP(=O)(O)O.N[CH]CCP(=O)(O)O.N[CH]CCP(=O)(O)O.[NaH].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TYMS P04818 1/20 0.43
BTN3A1 O00481 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
GRM4 Q14833 1/20 0.37
ANPEP P15144 1/20 0.36
ENPEP Q07075 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LPAR3 Q9UBY5 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP2 P08253 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
BBOX1 O75936 2/20 0.32

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
SCHEMBL11332095 0.97
SCHEMBL10632896 0.71 TYMS (0.64) ALDH1A1TYMSLMNACYP3A4NFKB1
SCHEMBL27413473 0.71 TYMS (0.64) ALDH1A1TYMSLMNACYP3A4NFKB1
SCHEMBL3718509 0.71
SCHEMBL336108 0.69 TYMS (0.45) ALDH1A1TYMSBTN3A1LMNACYP3A4
Methane SCHEMBL28455124 0.69
SCHEMBL21385310 0.69
SCHEMBL585465 0.69
SCHEMBL81370 0.67 TYMS (0.69) ALDH1A1TYMSLMNACYP3A4NFKB1
SCHEMBL8352725 0.67 TYMS (0.69) ALDH1A1TYMSLMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252882-B1 Process to increase the threshold tolerance of the sensitive skin OREAL (FR) 2007-03-21 EP claimed
CN-114672536-B Method for detecting virus content in water based on aluminum salt coagulation pretreatment 中国科学院生态环境研究中心 2023-10-13 CN disclosed
CN-111607371-B Efficient blockage removing system for polymer flooding injection well, preparation method and application of efficient blockage removing system 中海石油(中国)有限公司天津分公司 2022-08-02 CN disclosed
CN-111607371-A Efficient blockage removing system for polymer flooding injection well, preparation method and application of efficient blockage removing system 中海石油(中国)有限公司天津分公司 2020-09-01 CN disclosed