SCHEMBL11110138

SCHEMBL11110138

Cc1ccc(-c2cccc(C(=O)CO)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ERCC5 P28715 2/20 0.50
FEN1 P39748 2/20 0.50
KMO O15229 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
UTS2R Q9UKP6 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL13957667 0.86 MAPT (0.58) DHODHERCC5FEN1KMOLMNA
SCHEMBL2070299 0.85 ERCC5 (0.66) DHODHFFAR4ERCC5FEN1KMO
SCHEMBL21309283 0.83 FFAR4 (0.51) FFAR4ERCC5FEN1KMOLMNA
SCHEMBL4572428 0.80 NPC1 (0.56) DHODHKMOLMNANPC1RAB9A
SCHEMBL121436 0.80 KMO (0.71) DHODHKMOLMNAGAA
SCHEMBL910158 0.80 HPGD (0.59) LMNAHPGDMEN1NPC1RAB9A
SCHEMBL29639747 0.80 HPGD (0.59) LMNAHPGDMEN1NPC1RAB9A
SCHEMBL15706886 0.79 HPGD (0.72) DHODHLMNAHPGDTSHRHSD17B1
SCHEMBL23289052 0.79 DHODH (0.58) DHODHKMOLMNANPC1RAB9A
SCHEMBL22560707 0.79 LMNA (0.59) DHODHKMOLMNAHSD17B1HSD17B2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed