SCHEMBL11117632

SCHEMBL11117632

CC(C)c1ccc(NCCCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
NFKB1 P19838 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
EPHX1 P07099 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.38
ICMT O60725 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL1947590 0.88 NFKB1 (0.43) STK17BSTK17ANFKB1EGFRERBB2
SCHEMBL2064181 0.83 MAPT (0.54) NFKB1EPHX1MAPTALDH1A1GAA
SCHEMBL854855 0.82 EPHX1 (0.51) STK17BSTK17AEPHX1MAPTALDH1A1
SCHEMBL11113503 0.81 ALDH1A1 (0.47) STK17BSTK17AEPHX1MAPTALDH1A1
SCHEMBL103979 0.81 STK17A (0.55) STK17BSTK17AEPHX1MAPTALDH1A1
SCHEMBL908984 0.79 RHOC (0.46) STK17BSTK17AMAPTALDH1A1GAA
SCHEMBL15586619 0.79 STK17B (0.50) STK17BSTK17AEPHX1MAPTALDH1A1
SCHEMBL1844181 0.78 GAA (0.49) STK17BSTK17AEPHX1MAPTALDH1A1
SCHEMBL11935539 0.78 STK17B (0.49) STK17BSTK17AEPHX1MAPTALDH1A1
SCHEMBL12963093 0.78 EPHX1 (0.46) NFKB1EPHX1MAPTALDH1A1GAA

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
EP-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed