SCHEMBL9730574

SCHEMBL9730574

O=C(NCCOc1ccc(Oc2ccccc2)cc1)C1CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.77
RAB9A P51151 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
PKM P14618 1/20 0.77
EPHX2 P34913 1/20 0.77
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HPGD P15428 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.51
ALOX15 P16050 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ABL1 P00519 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL8640087 0.91 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL23119199 0.87 NPC1 (0.75) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL8641864 0.87 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL22447941 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL9486768 0.86 MEN1 (0.62) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL17842262 0.84 RAB9A (0.75) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL8959041 0.84 PKM (0.56) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL8959189 0.84 PKM (0.56) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL8638423 0.84 NPC1 (0.66) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL23975373 0.84 SMN1; SMN2 (0.89) NPC1RAB9ASMN1; SMN2PKMEPHX2

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-5132326-A Insecticides which interfere with hormonal activity BASF AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed