SCHEMBL9027447

SCHEMBL9027447

CO/C=C(\C(=O)OC)c1ccccc1/C=C(/F)c1nc(-c2ccccc2)no1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMPD1 P17405 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9027869 0.89 SCN10A (0.47) ALDH1A1TSHRSMPD1MEN1KMT2A
SCHEMBL9027887 0.74 MAPT (0.40) TSHRSMPD1NPC1RAB9AMEN1
SCHEMBL9027944 0.71 NPC1 (0.39) ALDH1A1SMPD1NPC1RAB9AMEN1
SCHEMBL9027817 0.71 MAPT (0.43) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8602667 0.70 MAPT (0.36) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9265857 0.70 PTGS1 (0.38) ALDH1A1TSHRHSD17B10NPC1RAB9A
SCHEMBL9028921 0.69 TAS2R14 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9029108 0.69 TAS2R14 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9027553 0.69 PTGDR2 (0.34) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL7174521 0.69 PTGDR2 (0.38) ALDH1A1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544587-B1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-29 EP claimed