SCHEMBL20218734

SCHEMBL20218734

CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)C[C@H](CO)[C@@H]1Cc1cccc(OCc2ccccc2)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ PTGIR P43119 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL20536595 1.00 MEN1 (0.32) MEN1KMT2AADAM17PTGIRMAPK1
SCHEMBL20536596 1.00 MEN1 (0.32) MEN1KMT2AADAM17PTGIRMAPK1
SCHEMBL20994229 0.92 PTGIR (0.39) MEN1KMT2APTGIRMAPK1TP53
SCHEMBL20994733 0.90 — —
SCHEMBL20536873 0.90 — —
SCHEMBL20536871 0.90 — —
SCHEMBL20536955 0.88 — —
SCHEMBL20536953 0.88 — —
SCHEMBL20218741 0.84 MEN1 (0.31) MEN1KMT2APTGIR
SCHEMBL14715871 0.83 CYP4F2 (0.32) MEN1KMT2AADAM17MAPK1TP53

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
EP-2581361-B1 Intermediates for the synthesis of benzindene prostaglandins and preparations thereof CHIROGATE INT INC (TW) 2018-06-06 — — EP disclosed
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