SCHEMBL9730441

SCHEMBL9730441

Fc1cccc(Oc2ccc(OCCNC(=S)C3CC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
FFAR4 Q5NUL3 6/20 0.42
FFAR1 O14842 2/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
SNCA P37840 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CACNA1B Q00975 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
Cyclopropane SCHEMBL9507570 0.83 FFAR4 (0.46) HTR2CHTR2BFFAR4FFAR1NPC1
SCHEMBL8959047 0.78 PPARA (0.41) NPC1PKMRAB9A
SCHEMBL8959122 0.76 ABL1 (0.43) ABL1HTR2CHTR2BFFAR1NPC1
SCHEMBL8958993 0.76 ABL1 (0.51) ABL1HTR2CHTR2BFFAR4FFAR1
SCHEMBL10828131 0.75 FFAR4 (0.56) FFAR4FFAR1RAB9AKDM4E
SCHEMBL10926665 0.74 MAPT (0.48) FFAR4FFAR1NPC1RAB9AMMP14
SCHEMBL9713896 0.73 FFAR4 (0.59) FFAR4FFAR1MMP2MMP3MMP9
SCHEMBL10879494 0.72 FFAR1 (0.42) HTR2CHTR2BFFAR4FFAR1MMP14
SCHEMBL9869869 0.72 FFAR1 (0.53) FFAR4FFAR1MMP2MMP3MMP9
SCHEMBL9486768 0.71 MEN1 (0.62) NPC1PKMEPHX2RAB9ASMN1; SMN2

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 4 patents. 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 claimed
JP-3135953-A None JP disclosed
US-5132326-A Insecticides which interfere with hormonal activity BASF AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
JP-H03135953-A CYCLOPROPANETHIOCARBOXAMIDES BASF AG 1991-06-10 JP disclosed