SCHEMBL5055249

SCHEMBL5055249

CCCCCCCCCCCCCCCCCC1SCCS1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
S1PR3 Q99500 2/20 0.38
HLCS P50747 2/20 0.37
ALOX5 P09917 1/20 0.35
GBA1 P04062 3/20 0.34
CYP1A2 P05177 2/20 0.34
SPHK1 Q9NYA1 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL6679831 0.97 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL2323127 0.91 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL6060709 0.91 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL9626029 0.91 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL4231884 0.91 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL8047846 0.88 ALDH1A1 (0.38) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL8058085 0.88 ALDH1A1 (0.38) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL17672276 0.86 CYP1A2 (0.38) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL11176805 0.81 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBS1PR3
SCHEMBL9677995 0.80 CYP1A2 (0.41) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311300-A1 Composition and Use Thereof KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2008-12-18 US disclosed
EP-1913446-A2 COMPOSITION AND USE THEREOF Koninklijke Philips Electronics N.V. (NL) 2008-04-23 EP disclosed
US-20070095469-A1 Formation of self-assembled monolayers KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-05-03 US disclosed
US-20070095469-A1 Formation of self-assembled monolayers KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-05-03 US disclosed
US-20070095469-A1 Formation of self-assembled monolayers KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-05-03 US disclosed
EP-1687381-B1 FORMATION OF SELF-ASSEMBLED MONOLAYERS KONINKL PHILIPS ELECTRONICS NV (NL) 2007-04-11 EP disclosed
EP-1687381-B1 FORMATION OF SELF-ASSEMBLED MONOLAYERS KONINKL PHILIPS ELECTRONICS NV (NL) 2007-04-11 EP disclosed
WO-2007013007-A2 COMPOSITION AND USE THEREOF KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-02-01 WO disclosed
EP-1687381-A1 FORMATION OF SELF-ASSEMBLED MONOLAYERS Koninklijke Philips Electronics N.V. (NL) 2006-08-09 EP disclosed
WO-2005049741-A1 FORMATION OF SELF-ASSEMBLED MONOLAYERS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2005-06-02 WO disclosed