SCHEMBL809363

SCHEMBL809363

CC(C)(Br)C(=O)Oc1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
KMT2A Q03164 1/20 0.51
NR4A2 P43354 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMO O15229 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ELANE P08246 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MITF O75030 1/20 0.43

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
SCHEMBL22858454 0.88 ELANE (0.58) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL809253 0.85 ESR1 (0.44) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL12892540 0.83 NPC1 (0.57) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL809308 0.82 PLA2G2A (0.42) KMT2AELANERXRA
SCHEMBL25788248 0.80 AKR1C3 (0.47) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL833149 0.80 ELANE (0.55) ELANE
SCHEMBL22607186 0.79 ELANE (0.56) KMT2ANR4A2ELANERXRARXRB
SCHEMBL29492631 0.79 LMNA (0.68) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL258461 0.79 LMNA (0.68) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL9360465 0.77 LMNA (0.66) AKR1C3KMT2ANR4A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802726-B1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF ADVANCED POLYMERIK PTY LTD (AU) 2011-11-30 EP disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
EP-1802726-A4 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LTD (AU) 2008-04-30 EP disclosed
EP-1802726-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF Polymers Australia PTY Limited (AU) 2007-07-04 EP disclosed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO disclosed