SCHEMBL5414554

SCHEMBL5414554

C#Cc1c(-c2ccccc2)ccc(Oc2ccc(-c3ccccc3)c(C#C)c2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
CRHBP P24387 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR2 Q13324 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1203982 0.77 NCOA1 (0.37) ALDH1A1CYP2A6NCOA1NCOA3MAPT
SCHEMBL28769199 0.71 CYP19A1 (0.40) CYP19A1ALDH1A1L3MBTL1CYP2A6KDM4E
SCHEMBL7943581 0.70 CYP19A1 (0.37) CYP19A1ALDH1A1CYP2A6KDM4EMAPT
SCHEMBL1713019 0.70 TDP1 (0.39) CYP19A1ALDH1A1CYP2A6KDM4ESMN1; SMN2
SCHEMBL5426826 0.70 CTSK (0.33) CYP19A1ALDH1A1KDM4EMAPT
SCHEMBL31447556 0.69 CYP19A1 (0.39) CYP19A1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9220620 0.69 NCOA1 (0.39) ALDH1A1MEN1KMT2ACYP2A6KDM4E
SCHEMBL5872244 0.69 APP (0.33) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL28367940 0.69 FABP4 (0.38) CYP19A1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8602820 0.69 NCOA1 (0.46) ALDH1A1L3MBTL1CYP2A6NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307137-B2 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. (US) 2007-12-11 US claimed
EP-1373358-A4 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INT INC (US) 2005-03-16 EP claimed
US-20040158024-A1 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. 2004-08-12 US claimed
EP-1373358-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF Honeywell International, Inc. (US) 2004-01-02 EP claimed
WO-2002081546-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INTERNATIONAL INC. (US) 2002-10-17 WO claimed
US-7307137-B2 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. (US) 2007-12-11 US disclosed
US-20050182151-A1 Low dielectric constant polyorganosilicon materials generated from polycarbosilanes APEN PAUL (US) 2005-08-18 US disclosed
EP-1373358-A4 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INT INC (US) 2005-03-16 EP disclosed
US-6841256-B2 Low dielectric constant polyorganosilicon materials generated from polycarbosilanes HONEYWELL INTERNATIONAL INC. (US) 2005-01-11 US disclosed
US-20040158024-A1 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. 2004-08-12 US disclosed
EP-1373358-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF Honeywell International, Inc. (US) 2004-01-02 EP disclosed
WO-2002081546-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INTERNATIONAL INC. (US) 2002-10-17 WO disclosed