SCHEMBL9515299

SCHEMBL9515299

CC(/C=C/C1(F)CC1c1ccc(Cl)c(Cl)c1)=C\C(=O)NCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NFE2L2 Q16236 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 2/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL9516830 0.90 EPHX2 (0.34) HPGDLMNAKDM4EEPHX2TRPV1
SCHEMBL9515309 0.87 HPGD (0.40) HPGDNOS3NOS1NOS2LMNA
SCHEMBL9430130 0.87 HPGD (0.40) HPGDNOS3NOS1NOS2LMNA
SCHEMBL9430143 0.87 HPGD (0.40) HPGDNOS3NOS1NOS2LMNA
SCHEMBL9430395 0.87 HPGD (0.40) HPGDNOS3NOS1NOS2LMNA
SCHEMBL9597892 0.87 HPGD (0.40) HPGDNOS3NOS1NOS2LMNA
SCHEMBL9580533 0.87 HPGD (0.40) HPGDNOS3NOS1NOS2LMNA
SCHEMBL9515730 0.86 MEN1 (0.34) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL9515734 0.86 HRH3 (0.31) HPGDEPHX2CNR2HRH3RXRA
SCHEMBL8967697 0.82 RXRA (0.44) POLBKDM4ESLC6A2SLC6A4SLC6A3

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
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP claimed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US claimed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP claimed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed