SCHEMBL8322990

SCHEMBL8322990

FC(F)C(=S)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALPL P05186 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23757992 0.76 HSP90AA1 (0.48) HSP90AA1ESR1ESR2MEN1ALDH1A1
SCHEMBL8323499 0.76 HSP90AA1 (0.42) HSP90AA1ESR1ESR2CA2CA4
SCHEMBL8317686 0.72 HSP90AA1 (0.46) HSP90AA1ESR1ESR2ALDH1A1MAPT
SCHEMBL8320896 0.72 HSP90AA1 (0.42) HSP90AA1ESR1ESR2ALDH1A1CA2
SCHEMBL8320124 0.71 HSP90AA1 (0.44) HSP90AA1ESR1ESR2MEN1ALDH1A1
SCHEMBL8458358 0.69 HSP90AA1 (0.37) HSP90AA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL1508 0.68 HSP90AA1 (0.55) HSP90AA1ESR1ALDH1A1MAPTKMT2A
SCHEMBL7522374 0.67 HSP90AA1 (0.59) HSP90AA1ESR1MEN1ALDH1A1MAPT
SCHEMBL814 0.67 HSP90AA1 (0.59) HSP90AA1ESR1MEN1ALDH1A1MAPT
SCHEMBL10834800 0.65 HSP90AA1 (0.42) HSP90AA1MEN1KMT2A

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
US-5856558-A REACTING 2-FORMYL- OR 2-OXOALKYLIDENETRIPHENYLPHOSPHORANE WITH A CHLORINATING AGENT; HEATING; THEN NUCLEOPHILIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed
US-5808129-A Process for the preparation of novel stabilized phosphorus ylides HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
CN-1141299-A Process for prepn. of novel stabilized phosphorus ylides HOECHST AG (DE) 1997-01-29 CN disclosed
EP-0741138-A2 Process for the preparation of novel stabilised phosphorus ylides HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-06 EP disclosed