SCHEMBL22277405

SCHEMBL22277405

CC(C)(OC(=O)c1c(I)ccc(I)c1I)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.48
GRIN2B Q13224 10/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 3/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
FAAH O00519 1/20 0.40
AGTR2 P50052 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL26426826 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22277416 0.83 L3MBTL1 (0.37) MEN1KMT2ANPSR1
SCHEMBL22277391 0.83 GPR119 (0.44) NPC1RAB9AHTTKMT2A
SCHEMBL22277410 0.83 LMNA (0.37) RAB9AGRIN2BMEN1KMT2AFAAH
SCHEMBL22277398 0.81 GPR119 (0.34) NPC1RAB9AHTT
SCHEMBL26785399 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL26784682 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2675082 0.79 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL11955156 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2676211 0.77 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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
US-20200241417-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-30 US disclosed