SCHEMBL8536848

SCHEMBL8536848

CCCOc1cc(C)ccc1P(=O)(C(=O)c1c(OC)cccc1OC)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 9/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL4707486 0.91 L3MBTL1 (0.42) L3MBTL1KDM4EMAPTSMN1; SMN2HTT
SCHEMBL29660607 0.84 TSHR (0.42) L3MBTL1KDM4EMAPTSMN1; SMN2HTT
SCHEMBL4625969 0.84 TSHR (0.42) L3MBTL1KDM4EMAPTSMN1; SMN2HTT
SCHEMBL5144192 0.82 THRB (0.47)
SCHEMBL4710769 0.81 THRA (0.48)
SCHEMBL5043176 0.81 ITGB1 (0.43)
SCHEMBL711411 0.78 NPC1 (0.46) MAPTNPSR1CA12CA1CA2
SCHEMBL29053717 0.77 NPC1 (0.41) MAPTLMNANPSR1NPC1RAB9A
SCHEMBL7625279 0.74 CA12 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL7625324 0.74 MAPT (0.56) MAPTSMN1; SMN2HTTCA12CA1

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-5965776-A PHOTOINITIATORS FOR THE PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-10-12 US disclosed