SCHEMBL214282

SCHEMBL214282

O=C(O)COc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
ALOX15 P16050 1/20 0.54
LMNA P02545 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
NR3C1 P04150 2/20 0.51
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA4 P22748 3/20 0.51
CA9 Q16790 3/20 0.51
PPARA Q07869 2/20 0.50
PTPN7 P35236 1/20 0.50
PPARG P37231 1/20 0.50
PTPN1 P18031 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CETP P11597 1/20 0.48

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
SCHEMBL215048 0.82 ALDH1A1 (0.60) ALOX15LMNAPPARAPTPN7PPARG
SCHEMBL7324331 0.80 CA12 (0.61) LMNANR3C1CA12CA1CA2
SCHEMBL8356637 0.80 LTB4R2 (0.54) ALOX15LMNACA12CA1CA2
SCHEMBL29955055 0.78 LMNA (0.63) ALOX15LMNAMTNR1AMTNR1BPPARA
SCHEMBL7996336 0.78 LMNA (0.63) ALOX15LMNAMTNR1AMTNR1BPPARA
SCHEMBL216023 0.78 LMNA (0.51) ALOX15LMNAPPARAPTPN7PPARG
SCHEMBL8804031 0.78 LTB4R2 (0.57) ALOX15LMNACA12CA1CA2
SCHEMBL8356633 0.77 PPARA (0.54) ALOX15LMNACA12CA1CA2
SCHEMBL13051037 0.77 CRHBP (0.52) CRHBPCRHR2MTNR1AMTNR1BNR3C1
SCHEMBL413254 0.77 LMNA (0.81) ALOX15LMNAPPARAPTPN7PPARG

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-2337820-B1 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN ADV MAT SWITZERLAND (CH) 2013-05-15 EP disclosed
US-8088182-B2 Azo dyes, a process for the preparation thereof and the use thereof HUNTSMAN INTERNATIONAL LLC (US) 2012-01-03 US disclosed
US-20110197377-A1 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN INTERNATIONAL LLC (US) 2011-08-18 US disclosed
EP-2337820-A2 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF Huntsman Advanced Materials (Switzerland) GmbH (CH) 2011-06-29 EP disclosed
WO-2010046192-A2 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2010-04-29 WO disclosed