SCHEMBL9632340

SCHEMBL9632340

O=C(O)NCCOc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 3/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL10829128 0.95 LTA4H (0.57) LTA4HSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL3446997 0.95 SMN1; SMN2 (0.55) SMN1; SMN2LMNAMAPK1NPSR1DRD2
SCHEMBL17164056 0.90 DRD2 (0.57) LTA4HSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL2353375 0.87 MTNR1A (0.65) LTA4HSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9634003 0.84 MTNR1A (0.53) LTA4HSMN1; SMN2LMNAMAPK1DRD2
SCHEMBL9632354 0.84 MAPT (0.51) LTA4HSMN1; SMN2LMNAMAPK1DRD2
Cyclopropane SCHEMBL9509777 0.83 RAB9A (0.61) LTA4HSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9161433 0.82 PPARA (0.60) SMN1; SMN2RAB9AALDH1A1NPC1MEN1
SCHEMBL10828184 0.82 L3MBTL1 (0.66) LTA4HSMN1; SMN2DRD2DRD4DRD3
SCHEMBL10828131 0.82 FFAR4 (0.56) LTA4HLMNARAB9AMTNR1AMTNR1B

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
US-5114968-A Ovicides, pesticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
EP-0395578-A2 Acylated carbamic acid esters CIBA-GEIGY AG (CH) 1990-10-31 EP disclosed