SCHEMBL7185569

SCHEMBL7185569

CSC(C)(OC(N)=O)c1ccccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 3/20 0.38
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 4/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 3/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
HMGB1 P09429 2/20 0.36
NAPRT Q6XQN6 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL7195421 0.85 SIRT1 (0.36) ALDH1A1ALOX15F2PRSS1PRSS2
SCHEMBL7196907 0.81 TSHR (0.44) ALDH1A1ALOX15KDM4EPOLBHPGD
SCHEMBL7183310 0.81 KCNK2 (0.40) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7185639 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15F2PRSS1PRSS2
SCHEMBL7187715 0.78 WDR5 (0.44) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL7194416 0.78 KMT2A (0.34) ALDH1A1HTTHPGDCA1CA2
SCHEMBL7183172 0.77 MAPT (0.43) ALDH1A1ALOX15F2PRSS1PRSS2
Water SCHEMBL2542359 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4EPOLBHPGD
SCHEMBL7187596 0.72 TDP1 (0.43) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL29022247 0.71 ALDH1A1 (0.52) ALDH1A1ALOX15KDM4EPOLBHPGD

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed