SCHEMBL9028092

SCHEMBL9028092

COC=C(C(=O)O)c1ccccc1C=C(F)c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
AR P10275 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL9027817 0.92 MAPT (0.43) TP53MAPTSMN1; SMN2GAANPC1
SCHEMBL9027940 0.91 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9029323 0.91 MAPT (0.41) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9034763 0.88 MAPT (0.41) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL9029522 0.81 KDM4E (0.34) MEN1KMT2AALDH1A1KDM4E
SCHEMBL9026598 0.80 EIF4E (0.41) TP53MAPTGAAKDM4ERECQL
SCHEMBL9027016 0.80 EIF4E (0.41) TP53MAPTGAAKDM4ERECQL
SCHEMBL9029415 0.79 MAPT (0.45) TP53MAPTSMN1; SMN2GAANPC1
SCHEMBL9027553 0.74 PTGDR2 (0.34) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL9401102 0.72 MAPT (0.46) TP53MAPTSMN1; SMN2GAANPC1

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
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
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP claimed