SCHEMBL470696

SCHEMBL470696

COc1cc(OC)c(-c2c(OC)cc(C)cc2P(=O)(c2ccccc2)c2ccccc2)c(P(=O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 3/20 0.37
HTR6 P50406 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37

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
SCHEMBL458609 0.93 KMT2A (0.50) KMT2AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL457816 0.85 LMNA (0.40) KMT2AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL458557 0.84 ALDH1A1 (0.41) KMT2AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL458358 0.82 MAPT (0.43) KMT2AMAPTLMNATUBB4ATUBB
SCHEMBL458031 0.78 KMT2A (0.48) KMT2AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL470704 0.76 PTGS2 (0.36) KMT2ALMNASMN1; SMN2POLBMEN1
SCHEMBL26087274 0.76 KMT2A (0.51) KMT2AMAPTKDM4EPOLBMEN1
SCHEMBL6130221 0.76 KMT2A (0.62) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL23494962 0.76 KMT2A (0.47) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL458326 0.75 CYP1A2 (0.39) LMNAKDM4EHTR6ALDH1A1CYP3A4

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
WO-2012031358-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-15 WO disclosed