SCHEMBL9891919

SCHEMBL9891919

CCC(C)(C)Oc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C(C)(C)CC)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 3/20 0.38
NR3C1 P04150 3/20 0.38
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 2/20 0.37
CASP1 P29466 1/20 0.37
PGR P06401 3/20 0.36
MMP2 P08253 4/20 0.35
MMP13 P45452 4/20 0.35
FFAR1 O14842 1/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP14 P50281 2/20 0.35

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
SCHEMBL13605588 0.93 HTT (0.38) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL12900879 0.93 NPC1 (0.39) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL13605583 0.92 HTT (0.43) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL10030281 0.90 NPC1 (0.49) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL15932966 0.90 NPC1 (0.49) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL15468262 0.89 HTT (0.54) HTTSMN1; SMN2LMNANR3C1PGR
SCHEMBL14601448 0.88 NPC1 (0.38) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL12831322 0.88 HTT (0.39) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL10066693 0.86 NPC1 (0.53) NPC1RAB9APOLBCYP2C9HTT
SCHEMBL12087310 0.83 HTT (0.37) HTTSMN1; SMN2LMNANR3C1BCL2L1

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-20120138916-A1 DEVICE COMPRISING POSITIVE HOLE INJECTION TRANSPORT LAYER, METHOD FOR PRODUCING THE SAME AND INK FOR FORMING POSITIVE HOLE INJECTION TRANSPORT LAYER DAI NIPPON PRINTING CO., LTD. (JP) 2012-06-07 US disclosed
US-20110081478-A1 Organic electroluminescent element and manufacturing method thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-04-07 US disclosed