SCHEMBL8612680

SCHEMBL8612680

COc1ccccc1-c1ccccc1Pc1ccccc1C1(O)C=Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
PDK2 Q15119 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
PARP1 P09874 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8611050 0.81 PDK2 (0.33) PDK2
SCHEMBL8611462 0.66 TP53 (0.52)
SCHEMBL14604156 0.65 APP (0.43)
SCHEMBL8609115 0.64
SCHEMBL15710320 0.64 ALDH1A1 (0.43)
SCHEMBL18686113 0.64 APP (0.42) L3MBTL1
SCHEMBL31442138 0.63 HDAC9 (0.35) PARP1
SCHEMBL31011000 0.63 MAPT (0.41) PTGS2SIGMAR1L3MBTL1
SCHEMBL31010998 0.63 MAPT (0.41) PTGS2SIGMAR1L3MBTL1
SCHEMBL31010999 0.63 MAPT (0.41) PTGS2SIGMAR1L3MBTL1

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
US-5789623-A Process for the preparation of hydroxybiarylphosphines and novel compounds of this group of substances HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-04 US disclosed