SCHEMBL7763502

SCHEMBL7763502

CCCCC=NCC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
POLA1 P09884 1/20 0.40
TSHR P16473 3/20 0.39
EPHX2 P34913 1/20 0.37
ALOX5 P09917 3/20 0.37
OXER1 Q8TDS5 1/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL27522782 0.79
SCHEMBL28226485 0.78 F7 (0.44) POLBTSHRALDH1A1LMNA
SCHEMBL27600544 0.74 ATM (0.46) TSHRALDH1A1
SCHEMBL29222989 0.74 TSHR (0.44) TSHRALDH1A1LMNA
SCHEMBL1257707 0.72 PPARG (0.47) POLBALDH1A1LMNA
SCHEMBL1257710 0.72 PPARG (0.47) POLBALDH1A1LMNA
SCHEMBL13870409 0.71
SCHEMBL362129 0.71 TSHR (0.41) TSHRCA12CA14ALDH1A1LMNA
SCHEMBL7763439 0.70
SCHEMBL20996668 0.70 TSHR (0.42) POLBTSHRALDH1A1LMNA

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
WO-2001094358-A1 ORGANOPHOSPHOROUS HYDROXAMIC ACID DERIVATIVES USED AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-12-13 WO disclosed
WO-2001093872-A1 USE OF ORGANOPHOSPHOROUS HYDROXAMIC ACID DERIVATIVES FOR PRODUCING MEDICAMENTS JOMAA PHARMAKA GMBH (DE) 2001-12-13 WO disclosed