SCHEMBL8948931

SCHEMBL8948931

COC(=C(Br)C(=O)O)c1cccc2ccc(COc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
FFAR1 O14842 1/20 0.41
MAOB P27338 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
MTNR1A P48039 1/20 0.40
ADAM17 P78536 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL8948927 1.00 MRGPRX4 (0.42) MRGPRX4FFAR1MAOBRAB9ATP53
SCHEMBL9215178 0.92 HIF1A (0.43) MRGPRX4FFAR1MAOBRAB9ATP53
SCHEMBL8948955 0.86 MTNR1A (0.40) MTNR1A
SCHEMBL8948952 0.86 MTNR1A (0.40) MTNR1A
SCHEMBL8948946 0.78 MRGPRX4 (0.43) MRGPRX4FFAR1MAOBRAB9ATP53
SCHEMBL8948936 0.78 MRGPRX4 (0.43) MRGPRX4FFAR1MAOBRAB9ATP53
SCHEMBL8948942 0.78 MRGPRX4 (0.43) MRGPRX4FFAR1MAOBRAB9ATP53
SCHEMBL9222166 0.77 MRGPRX4 (0.42) MRGPRX4FFAR1MAOBRAB9ATP53
SCHEMBL9213563 0.77 MRGPRX4 (0.42) MRGPRX4FFAR1MAOBRAB9ATP53
SCHEMBL8597245 0.71 HIF1A (0.52) MRGPRX4FFAR1MAOBRAB9ASMN1; 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 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