SCHEMBL2895464

SCHEMBL2895464

CCCON(OCCC)c1ccc(C)cc1.Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
ALDH1A1 P00352 8/20 0.42
CYP3A4 P08684 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
TSHR P16473 4/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TEAD4 Q15561 1/20 0.42
PSMD14 O00487 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 5/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL8772724 0.93 TDP1 (0.48) ALDH1A1CYP3A4TDP1TSHRMAPK1
SCHEMBL6341579 0.91 ALDH1A1 (0.41) ACHEALDH1A1TDP1TSHRMAPK1
SCHEMBL27571352 0.77 TDP1 (0.52) ACHEALDH1A1CYP3A4TDP1TSHR
SCHEMBL5334547 0.74 MMP2 (0.33) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL7047179 0.74 TSHR (0.44) ACHEALDH1A1TDP1TSHRMAPK1
SCHEMBL1457605 0.74 ACHE (0.68) ACHEALDH1A1CYP3A4TDP1TSHR
SCHEMBL14160923 0.74 ACHE (0.68) ACHEALDH1A1CYP3A4TDP1TSHR
SCHEMBL13926340 0.74 ACHE (0.68) ACHEALDH1A1CYP3A4TDP1TSHR
Butane SCHEMBL7942546 0.73 ACHE (0.77) ACHEALDH1A1CYP3A4TDP1TSHR
SCHEMBL80211 0.73 ALDH1A1 (0.39) ACHEALDH1A1TDP1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790797-B2 Matt polymerization glue EVONIK ROHM GMBH (DE) 2010-09-07 US disclosed
US-7790792-B2 Matt polymerization glue EVONIK ROHM GMBH (DE) 2010-09-07 US disclosed
US-20090229751-A1 MATT POLYMERIZATION GLUE ROEHM GBMH & CO. KG (DE) 2009-09-17 US disclosed
US-20050124731-A1 Matt polymerization glue ROEHM GBMH & CO. KG (DE) 2005-06-09 US disclosed