SCHEMBL734355

SCHEMBL734355

CCCC[PH](CCCC)(CCCC)Cc1ccc(CC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP2A6 P11509 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 3/20 0.32
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32

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
SCHEMBL915232 0.87 ESR1 (0.41) TP53LPLLIPGALDH1A1TSHR
Hydrochloric Acid SCHEMBL29155877 0.85 ESR1 (0.39) TP53LPLLIPGALDH1A1TSHR
SCHEMBL10970027 0.85 HPGD (0.40) TAAR1CYP2A6ALDH1A1CA2TDP1
SCHEMBL8670838 0.84 ESR1 (0.42) TP53LPLLIPGALDH1A1TSHR
SCHEMBL6663562 0.83 PSMD14 (0.42) TAAR1ALDH1A1TDP1LMNAMAPT
SCHEMBL9409939 0.83 ALDH1A1 (0.34) TP53ALDH1A1TSHRLMNAESR1
SCHEMBL122664 0.83 TP53 (0.42) TP53TSHRMAPK1SMN1; SMN2
SCHEMBL28310861 0.81 TP53 (0.41) TP53TSHRMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL28361505 0.81 TP53 (0.41) TP53TSHRMAPK1SMN1; SMN2
Bromide SCHEMBL28061323 0.79 TP53 (0.39) TP53TSHRMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8137990-B2 Compositions for chemiluminescent detection of hydrogen peroxide LUMIGEN, INC. (US) 2012-03-20 US disclosed
US-7704752-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2010-04-27 US disclosed
US-20100055800-A1 Compositions for Chemiluminescent Detection of Hydrogen Peroxide LUMIGEN, INC. (US) 2010-03-04 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 US disclosed