SCHEMBL12671969

SCHEMBL12671969

O=C(Cl)c1ccc(CC(=O)c2ccc(COCl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.46
SRD5A2 P31213 2/20 0.41
S1PR5 Q9H228 1/20 0.39
HTT P42858 2/20 0.39
STS P08842 1/20 0.39
LMNA P02545 1/20 0.39
PARP10 Q53GL7 1/20 0.39
NR4A2 P43354 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10036561 0.89 PARP10 (0.46) RAB9ANPC1MAPTPARP10NR4A2
SCHEMBL14886224 0.87 RAB9A (0.60) RAB9ANPC1L3MBTL1MAPTSRD5A2
SCHEMBL10036554 0.84 PARP10 (0.42) RAB9ANPC1MAPTPARP10NR4A2
SCHEMBL10036584 0.84 KMT2A (0.45) RAB9ANPC1SRD5A2LMNAPARP10
SCHEMBL10036580 0.84 HTT (0.45) RAB9ANPC1L3MBTL1MAPTSRD5A2
SCHEMBL10036583 0.81 PARP10 (0.47) RAB9ANPC1MAPTSRD5A2PARP10
SCHEMBL10036590 0.78 ALDH1A1 (0.41) L3MBTL1PARP10NR4A2PTPRCPTPN2
SCHEMBL10036585 0.77 RXRA (0.47) RAB9ANPC1L3MBTL1MAPTHTT
SCHEMBL12696220 0.74 MAOB (0.43) MAPTNR4A2PTPRCPTPN2PTPN1
SCHEMBL9688423 0.74 GSK3B (0.42) RAB9ANPC1L3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314202-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-11-20 US disclosed
US-20110112241-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2011-05-12 US disclosed
WO-2009123969-A2 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS (US) 2009-10-08 WO disclosed