SCHEMBL3805334

SCHEMBL3805334

COc1ccc(OC)c(P(C)(=O)Sc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 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
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HDAC4 P56524 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
SCHEMBL3806732 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTLMNANPSR1
SCHEMBL3788095 0.83 KMT2A (0.46) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL258526 0.78 KMT2A (0.48) SMN1; SMN2ALDH1A1MAPTLMNACA12
SCHEMBL258833 0.78 KMT2A (0.48) SMN1; SMN2ALDH1A1MAPTLMNACA12
SCHEMBL258525 0.78 KMT2A (0.48) SMN1; SMN2ALDH1A1MAPTLMNACA12
SCHEMBL28659850 0.78 NPC1 (0.44) SMN1; SMN2ALDH1A1MAPTLMNANPSR1
SCHEMBL3806737 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTLMNANPSR1
SCHEMBL6130221 0.75 KMT2A (0.62) ALDH1A1MAPTLMNACA12CA1
SCHEMBL3805372 0.73 KCNH2 (0.42) SMN1; SMN2ALDH1A1MAPTCA12CA1
SCHEMBL3787871 0.72 KMT2A (0.52) SMN1; SMN2ALDH1A1MAPTCA12CA1

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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