SCHEMBL12440772

SCHEMBL12440772

CBCc1ccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4ccc(CC)cc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.51
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 2/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS1 P07477 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN7 P35236 1/20 0.49
HDAC1 Q13547 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL12440787 0.96 PGR (0.48) PGRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL12440780 0.92 RAB9A (0.54) RAB9ANPC1SMN1; SMN2F2PLG
SCHEMBL22192686 0.90 PGR (0.61) PGRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL12440794 0.88 PLK1 (0.53) RAB9ANPC1SMN1; SMN2F2PLG
SCHEMBL12440789 0.88 NR1H4 (0.52) RAB9ANPC1SMN1; SMN2F2PLG
SCHEMBL17084712 0.85 PGR (0.72) PGRRAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL155094 0.85 PGR (0.72) PGRRAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL12440805 0.84 F2 (0.47) RAB9ANPC1SMN1; SMN2F2PLG
SCHEMBL12440801 0.84 F2 (0.47) RAB9ANPC1SMN1; SMN2F2PLG
SCHEMBL12440786 0.84 NR1H4 (0.51) RAB9ANPC1SMN1; SMN2F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519040-B2 Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-08-27 US disclosed
US-20110178218-A1 IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT National Institute of Avanced Industrial Science and Technology (JP) 2011-07-21 US disclosed