SCHEMBL8948936

SCHEMBL8948936

CO/C(=C/C(=O)O)c1cccc2ccc(COc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
RAB9A P51151 3/20 0.42
FFAR1 O14842 1/20 0.42
MAOB P27338 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MTNR1A P48039 1/20 0.41
NPC1 O15118 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL8948946 1.00 MRGPRX4 (0.43) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL8948942 1.00 MRGPRX4 (0.43) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL9213563 0.92 MRGPRX4 (0.42) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL9222166 0.92 MRGPRX4 (0.42) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL8949014 0.79 NR4A2 (0.43) SMN1; SMN2MTNR1A
SCHEMBL8949018 0.79 NR4A2 (0.43) SMN1; SMN2MTNR1A
SCHEMBL8949021 0.79 NR4A2 (0.43) SMN1; SMN2MTNR1A
SCHEMBL8948979 0.79 MTNR1A (0.44) RAB9AMTNR1ANPC1
SCHEMBL8948985 0.79 MTNR1A (0.44) RAB9AMTNR1ANPC1
SCHEMBL8948989 0.79 MTNR1A (0.44) RAB9AMTNR1ANPC1

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-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed