SCHEMBL4948643

SCHEMBL4948643

COc1ccc(CCC=CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
MAOB P27338 2/20 0.52
CALM1 P0DP23 2/20 0.52
F2RL1 P55085 1/20 0.49
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 2/20 0.46
IGF1R P08069 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44

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
SCHEMBL8416687 0.87 CALM1 (0.56) TAAR1MAOBCALM1ALOX15IGF1R
SCHEMBL14169763 0.84 GPR52 (0.49) GPR52TAAR1MAOBCALM1F2RL1
SCHEMBL9005282 0.82 TAAR1 (0.53) GPR52TAAR1MAOBCALM1F2RL1
SCHEMBL9005279 0.82 TAAR1 (0.53) GPR52TAAR1MAOBCALM1F2RL1
SCHEMBL18902086 0.81 MAOB (0.58) GPR52TAAR1MAOBCALM1F2RL1
SCHEMBL12991282 0.81 MAOB (0.58) GPR52TAAR1MAOBCALM1F2RL1
SCHEMBL21064779 0.81 ALDH1A1 (0.55) GPR52TAAR1MAOBCALM1F2RL1
SCHEMBL14223697 0.81 TAAR1 (0.52) GPR52TAAR1MAOBCALM1F2RL1
SCHEMBL9478767 0.80 MAOB (0.56) GPR52TAAR1MAOBCALM1IDO1
SCHEMBL9478777 0.80 MAOB (0.56) GPR52TAAR1MAOBCALM1IDO1

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
EP-1753901-B1 A FILAMENT OR FIBRE KONINKL PHILIPS ELECTRONICS NV (NL) 2008-05-14 EP disclosed
US-20070215836-A1 Filament or Fibre KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2007-09-20 US disclosed
EP-1753901-A1 A FILAMENT OR FIBRE Koninklijke Philips Electronics N.V. (NL) 2007-02-21 EP disclosed
WO-2005113867-A1 A FILAMENT OR FIBRE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2005-12-01 WO disclosed