SCHEMBL5159508

SCHEMBL5159508

CC(OC([O])c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
DPP4 P27487 2/20 0.39
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
RORC P51449 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA2B P18089 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALOX5 P09917 1/20 0.36
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL10690940 0.89 IDO1 (0.46) HCAR2KMT2ARORCADRA2ACYP2D6
SCHEMBL6272307 0.86 HCAR2 (0.46) HCAR2KMT2AFFAR1ADRA2AADRA2C
SCHEMBL1357005 0.84 ALDH1A1 (0.39) HCAR2KMT2AADRA2AADRA2CTAAR1
SCHEMBL198133 0.83 HCAR2 (0.45) HCAR2DPP4ADRA2AADRA2CADRA2B
Phosphine SCHEMBL20897413 0.80 CYP2D6 (0.46) HCAR2DPP4ADRA2AADRA2CADRA2B
Ammonia Solution, Strong SCHEMBL27871924 0.80 HCAR2 (0.44) HCAR2DPP4ADRA2AADRA2CADRA2B
Hydrochloric Acid SCHEMBL28273439 0.80 ALDH1A1 (0.44) HCAR2DPP4KMT2AADRA2AADRA2C
SCHEMBL22875947 0.79 TAAR1 (0.40) HCAR2DPP4FFAR1ADRA2AADRA2C
SCHEMBL104838 0.78 HCAR2 (0.42) HCAR2DPP4FFAR1ADRA2AADRA2C
SCHEMBL3163758 0.78 HCAR2 (0.42) HCAR2DPP4FFAR1ADRA2AADRA2C

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-1581513-B1 MULTIFUNCTIONAL CATIONIC PHOTOINITIATORS, THEIR PREPARATION AND USE SUN CHEMICAL CORP (US) 2007-02-14 EP disclosed
EP-1581513-A1 MULTIFUNCTIONAL CATIONIC PHOTOINITIATORS, THEIR PREPARATION AND USE Sun Chemical Corporation (US) 2005-10-05 EP disclosed
WO-2004055000-A1 MULTIFUNCTIONAL CATIONIC PHOTOINITIATORS, THEIR PREPARATION AND USE SUN CHEMICAL CORPORATION (US) 2004-07-01 WO disclosed
US-5025096-A Preparation of indole and indole derivatives MINE SAFETY APPLIANCES COMPANY (US) 1991-06-18 US disclosed