SCHEMBL7049085

SCHEMBL7049085

O=C=Nc1ccc(Oc2ccccc2C(c2ccccc2Oc2ccc(N=C=O)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR5 Q9H1C0 1/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ AR P10275 6/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL10677281 0.88 LTA4H (0.45) LTA4HPTGS2CYP3A4TSHRLPAR1
SCHEMBL7046465 0.82 ALDH1A1 (0.37) LTA4HPTGS2CYP3A4TSHRFFAR1
SCHEMBL3382230 0.79 CYP3A4 (0.40) CYP3A4TSHRALDH1A1CYP1A2KMT2A
SCHEMBL7239465 0.77 NCOA1 (0.42) PTGS2CYP3A4TSHRLMNAALDH1A1
SCHEMBL1071989 0.75 CYP3A4 (0.40) CYP3A4TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL721404 0.75 NCOA1 (0.49) LTA4HPTGS2CYP3A4TSHRAR
SCHEMBL29812870 0.75 CYP3A4 (0.40) CYP3A4TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL242048 0.72 LTA4H (0.50) LTA4HCYP3A4TSHRPARP10
SCHEMBL7181943 0.72 CYP3A4 (0.36) CYP3A4
SCHEMBL50333 0.72 CYP3A4 (0.54) LTA4HCYP3A4TSHRALDH1A1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10251511-A — — None — — JP disclosed
EP-0810244-B1 Aromatic polycarbodiimide and sheet using it NITTO DENKO CORP (JP) 2003-04-09 — — EP disclosed
US-5859170-A CONTAINING SILOXANE BOND IN POLYMER MAIN CHAIN; HEAT RESISTANCE, STORAGE STABILITY NITTO DENKO CORPORATION (JP) 1999-01-12 — — US disclosed
JP-H10251511-A PASTE COMPOSITION NITTO DENKO CORP 1998-09-22 — — JP disclosed
EP-0810244-A2 Aromatic polycarbodiimide and sheet using it NITTO DENKO CORPORATION (JP) 1997-12-03 — — EP disclosed
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