SCHEMBL6672080

SCHEMBL6672080

CC(C)(C)NC(=O)Nc1cc(Cl)cc(Cl)c1O.O=C(NCC1CCCCC1)Nc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
EPHX2 P34913 2/20 0.48
CACNA1H O95180 4/20 0.43
CYP2D6 P10635 3/20 0.43
KCNH2 Q12809 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
USP30 Q70CQ3 1/20 0.39
GRM4 Q14833 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4348741 0.91 EPHX1 (0.56) EPHX1EPHX2NPC1RAB9APOLB
SCHEMBL4347164 0.82 KMT2A (0.53) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL4356013 0.78 EPHX1 (0.51) EPHX1EPHX2NPC1RAB9APOLB
SCHEMBL4353768 0.77 SMN1; SMN2 (0.49) EPHX1EPHX2NPC1RAB9AMAPT
SCHEMBL4348759 0.76 EPHX1 (0.50) EPHX1EPHX2NPC1RAB9APOLB
SCHEMBL6672086 0.75 EPHX1 (0.36) EPHX1EPHX2KCNH2NPC1RAB9A
SCHEMBL4345960 0.75 EPHX1 (0.64) EPHX1EPHX2NPC1RAB9APOLB
SCHEMBL4351271 0.74 EPHX1 (0.60) EPHX1EPHX2NPC1RAB9APOLB
SCHEMBL4345381 0.74 EPHX1 (0.63) EPHX1EPHX2NPC1RAB9APOLB
SCHEMBL6566791 0.74 POLB (0.46) EPHX2NPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed