SCHEMBL3787003

SCHEMBL3787003

COc1ccc(OC)c(P(=O)(c2ccccc2)C(C)P(=O)(c2ccccc2)c2cc(OC)ccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ACP3 P15309 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL5159127 0.83 KMT2A (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL6130221 0.81 KMT2A (0.62) KMT2AMEN1CA12CA1CA2
SCHEMBL258526 0.81 KMT2A (0.48) KMT2AMEN1CA12CA1CA2
SCHEMBL258525 0.81 KMT2A (0.48) KMT2AMEN1CA12CA1CA2
SCHEMBL258833 0.81 KMT2A (0.48) KMT2AMEN1CA12CA1CA2
SCHEMBL3787871 0.78 KMT2A (0.52) KMT2AMEN1CA12CA1CA2
SCHEMBL3805335 0.74 CA12 (0.44) KMT2AMEN1CA12CA1CA2
SCHEMBL15715564 0.73 KMT2A (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL3806734 0.72 CA12 (0.42) KMT2AMEN1CA12CA1CA2
SCHEMBL4077778 0.71 ALDH1A1 (0.52) CA2NPC1HTTTSHR

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
WO-2010004278-A1 METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES CELTIC CATALYSTS LIMITED (IE) 2010-01-14 — — WO claimed
WO-2010004278-A1 METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES CELTIC CATALYSTS LIMITED (IE) 2010-01-14 — — WO disclosed
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