SCHEMBL2789100

SCHEMBL2789100

COC#Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.49
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 5/20 0.40
CYP2A6 P11509 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 1/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 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
SCHEMBL9799731 0.80 CA4 (0.35) GRM5ALDH1A1CA1CA2MAPT
SCHEMBL2776015 0.80 CHAT (0.60) CHATGRM5ALDH1A1CYP2A6CA1
SCHEMBL29661843 0.80 CHAT (0.60) CHATGRM5ALDH1A1CYP2A6CA1
SCHEMBL10672190 0.79 CHAT (0.43) CHATGRM5ALDH1A1CYP2A6CA1
SCHEMBL8527895 0.79 CHAT (0.43) CHATGRM5ALDH1A1CYP2A6CA1
SCHEMBL2473788 0.78 CHAT (0.44) CHATGRM5ALDH1A1CYP2A6CA1
SCHEMBL6364668 0.78 CHAT (0.58) CHATGRM5ALDH1A1CYP2A6CA1
SCHEMBL28371725 0.77 GRM5 (0.50) CHATGRM5ALDH1A1CA1CA2
SCHEMBL1611988 0.77 CHAT (0.53) CHATGRM5ALDH1A1CYP2A6CA1
SCHEMBL5014214 0.76 CHAT (0.52) CHATGRM5ALDH1A1CYP2A6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107784-A1 METHODS FOR ACTIVATION CONTROL OF PHOTOPOLYMERIZATION FOR HOLOGRAPHIC DATA STORAGE USING AT LEAST TWO WAVELENGTHS STX APRILIS, INC. (US) 2010-09-23 WO disclosed