SCHEMBL7997430

SCHEMBL7997430

CSc1c(C(=O)O)ccc2c1OCCC2=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.39
LTB4R2 Q9NPC1 10/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GRM5 P41594 2/20 0.35
XDH P47989 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7994063 0.85 LTB4R (0.37) LTB4RLTB4R2MAOAMAOBGRM5
SCHEMBL6203050 0.79 KDM4E (0.44) ALDH1A1KDM4EHSD17B10MEN1MAPT
Hydrochloric Acid SCHEMBL6184322 0.78 KDM4E (0.43) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL6836766 0.74 PARP1 (0.51) LTB4RLTB4R2MAOAMAOBGRM5
SCHEMBL8122612 0.72 MEN1 (0.33) XDHALDH1A1KDM4EMEN1MAPT
SCHEMBL7617127 0.72 HNF4A (0.32)
SCHEMBL8136281 0.72 PARP1 (0.35) XDHALDH1A1KDM4EMAPTLMNA
SCHEMBL8128422 0.71 FABP4 (0.34) XDHHSD17B10MAPTLMNAHPGD
SCHEMBL27504227 0.70 MAP3K14 (0.36) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL6186035 0.70 ALDH1A1 (0.41) MAOBXDHSLC22A12ALDH1A1MEN1

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-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed