SCHEMBL9771540

SCHEMBL9771540

CCCCOc1ccc(C(OC(c2ccc(Cl)cc2)c2ccc(OCCCC)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SLC2A1 P11166 3/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ NR5A1 Q13285 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL9771562 0.93 MEN1 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10SLC2A1
SCHEMBL8437304 0.86 NQO1 (0.52) SMN1; SMN2LTA4HMEN1KMT2ATP53
SCHEMBL3790721 0.85 NPC1 (0.61) SMN1; SMN2NPC1RAB9AHSD17B10DRD2
SCHEMBL12204146 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHSD17B10SLC2A1
SCHEMBL6907235 0.81 NR5A1 (0.62) SMN1; SMN2NPC1RAB9AHSD17B10DRD2
Dimethylamine SCHEMBL3444887 0.80 DRD4 (0.56) SMN1; SMN2NPC1RAB9AHSD17B10DRD2
SCHEMBL11662072 0.80 NR5A1 (0.66) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H
Butyl Chloride SCHEMBL9704868 0.80 NPC1 (0.56) SMN1; SMN2NPC1RAB9AHSD17B10DRD2
SCHEMBL6122097 0.80 NR5A1 (0.66) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H
SCHEMBL5599322 0.80 NR5A1 (0.66) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981835-A BENZYL ETHER DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 — — US disclosed
Send feedback