SCHEMBL9568810

SCHEMBL9568810

O=C(OOC(F)F)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.42
RBBP9 O75884 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
CASP3 P42574 3/20 0.38
SENP8 Q96LD8 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PLA2G4A P47712 3/20 0.35
HSPA9 P38646 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CES1 P23141 1/20 0.33
PLA2G7 Q13093 1/20 0.32
ACP1 P24666 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
SCHEMBL9568970 0.76
SCHEMBL9568835 0.72
SCHEMBL1009292 0.72
SCHEMBL6972528 0.72
SCHEMBL9568892 0.72
SCHEMBL20746452 0.72
SCHEMBL2038967 0.72 ALDH1A1 (0.55) ALDH1A1KMT2ARBBP9CYP1A2CYP2D6
SCHEMBL27531002 0.71 ALDH1A1 (0.50) ALDH1A1KMT2ARBBP9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28652061 0.71 ALDH1A1 (0.59) ALDH1A1KMT2ARBBP9CYP1A2CYP2D6
SCHEMBL25243570 0.69 ALDH1A1 (0.52) ALDH1A1KMT2ARBBP9CYP1A2CYP2D6

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-0556123-A1 Pyrethrinoid esters of thiazolylalcohols, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-08-18 EP disclosed