SCHEMBL11112342

SCHEMBL11112342

CC(C)Oc1cccc(NCCCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NSD2 O96028 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PLAU P00749 4/20 0.44
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
GRK2 P25098 2/20 0.43
GRM4 Q14833 2/20 0.43
SYK P43405 1/20 0.42
CNR1 P21554 1/20 0.41
CA2 P00918 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL11129973 0.88 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4ENSD2MTNR1A
SCHEMBL14058917 0.86 F2R (0.48) SMN1; SMN2ALDH1A1KDM4ENSD2MTNR1A
SCHEMBL11118240 0.85 MTNR1A (0.50) SMN1; SMN2ALDH1A1KDM4ENSD2MTNR1A
SCHEMBL11117500 0.84 MTNR1A (0.59) MTNR1AMTNR1BGRM4NPSR1MAPT
SCHEMBL12862491 0.82 CACNA1B (0.46) SMN1; SMN2ALDH1A1KDM4ENSD2MTNR1A
SCHEMBL12895716 0.79 HDAC4 (0.48) SMN1; SMN2ALDH1A1KDM4ENSD2MTNR1A
SCHEMBL11116182 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EMTNR1AMTNR1BHDAC4
SCHEMBL10654061 0.76 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1PLAUCNR1CA2
SCHEMBL29678387 0.76 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1PLAUCNR1CA2
SCHEMBL10989612 0.76 MTNR1A (0.60) SMN1; SMN2ALDH1A1MTNR1AMTNR1BNPSR1

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