SCHEMBL11565756

SCHEMBL11565756

CNC(=O)Oc1cccc(SCC(OC)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.50
MTNR1B P49286 7/20 0.50
ACHE P22303 6/20 0.46
BCHE P06276 3/20 0.46
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL11563558 0.82 MTNR1A (0.44) MTNR1AMTNR1BACHEBCHEALDH1A1
SCHEMBL11564658 0.81 FAAH (0.55) ALDH1A1RAB9A
SCHEMBL31181340 0.78 MTNR1A (0.57) MTNR1AMTNR1BACHEALDH1A1
SCHEMBL16295456 0.78 MTNR1A (0.57) MTNR1AMTNR1BACHEALDH1A1
SCHEMBL11567999 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22492230 0.77 ACHE (0.51) ACHEBCHECYP1A2
SCHEMBL10815679 0.74 ACHE (0.61) ACHEBCHEALDH1A1KDM4ENPC1
SCHEMBL11560772 0.72 MTNR1A (0.40) MTNR1AMTNR1BACHEALDH1A1SMN1; SMN2
SCHEMBL20264521 0.72 BCHE (0.55) MTNR1AMTNR1BACHEBCHEALDH1A1
SCHEMBL8927626 0.70 ACHE (0.54) ACHEBCHEALDH1A1KDM4ENPC1

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-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US claimed
US-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed