SCHEMBL3443192

SCHEMBL3443192

CCC(CC)CCCOc1ccc(-c2cc(B(O)O)cc(-c3ccc(OCCCC(CC)CC)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
RARB P10826 6/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ERN1 O75460 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
LSS P48449 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RARA P10276 1/20 0.34

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
SCHEMBL3443189 0.77 KDM4E (0.39) MEN1KMT2ATDP1
SCHEMBL3036082 0.74 CYP2D6 (0.58) CYP3A4CYP2D6RARBCYP19A1CYP2C9
SCHEMBL7913283 0.73 RAB9A (0.47) CYP3A4CYP2D6MEN1KMT2ACYP19A1
SCHEMBL2555796 0.71 RARB (0.58) CYP3A4CYP2D6RARBCYP19A1CYP2C9
SCHEMBL9893658 0.71 LTA4H (0.50) CYP3A4CYP2D6RARBMEN1KMT2A
SCHEMBL5392482 0.70 RARB (0.60) CYP3A4CYP2D6RARBCYP19A1CYP2C9
SCHEMBL1792038 0.70 RARB (0.60) CYP3A4CYP2D6RARBCYP19A1CYP2C9
SCHEMBL7698504 0.70 RARB (0.60) CYP3A4CYP2D6RARBCYP19A1CYP2C9
SCHEMBL17219480 0.70 CYP2D6 (0.53) CYP3A4CYP2D6RARBCYP19A1CYP2C9
SCHEMBL3039053 0.70 RARB (0.60) CYP3A4CYP2D6RARBCYP19A1CYP2C9

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
EP-1973983-B1 BRANCHED COMPOUNDS AND THEIR USE IN SENSORS ISIS INNOVATION (GB) 2016-03-30 EP disclosed
US-7812323-B2 Branched compounds and their use in sensors ISIS INNOVATION LIMITED (GB) 2010-10-12 US disclosed
US-20090314957-A1 Branched Compounds And Their Use in Sensors OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-12-24 US disclosed
EP-1973983-A1 BRANCHED COMPOUNDS AND THEIR USE IN SENSORS ISIS INNOVATION LIMITED (GB) 2008-10-01 EP disclosed
WO-2007077456-A1 BRANCHED COMPOUNDS AND THEIR USE IN SENSORS ISIS INNOVATION LIMITED (GB) 2007-07-12 WO disclosed