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SCHEMBL948749

SCHEMBL948749

CC(C)(C)OC(=O)C=Cc1cc2cc(OCc3ccccc3)ccc2n1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ LTB4R Q15722 1/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL948748 1.00 SRD5A2 (0.46) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL1077180 0.91 EGFR (0.46) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL1077182 0.91 EGFR (0.46) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL946357 0.86 SRD5A2 (0.51) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL946360 0.86 SRD5A2 (0.51) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL946768 0.85 SRD5A2 (0.46) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL946767 0.85 SRD5A2 (0.46) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5369798 0.79 SRD5A2 (0.43) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5372569 0.79 SRD5A2 (0.43) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL949756 0.74 SRD5A2 (0.52) SRD5A2MEN1NPC1RAB9AKMT2A

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-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 — — WO disclosed