SCHEMBL5533907

SCHEMBL5533907

CCC1CCCCN1OCOCCOC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30
CYP1A2 P05177 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL28284568 0.76 KMT2A (0.38) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL4461975 0.74 MAPK1 (0.40) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL30481640 0.73 MAPK1 (0.42) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL28260453 0.70 KMT2A (0.32) MAPK1ALDH1A1KMT2ATSHRTP53
Bromide SCHEMBL28261743 0.69 KMT2A (0.31) KMT2ANPC1HPGDRAB9A
SCHEMBL3836641 0.69 KMT2A (0.38) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL28026791 0.68 MAPK1 (0.46) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL27772509 0.68
SCHEMBL14293949 0.68 S1PR1 (0.38) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL14293944 0.68 MAPK1 (0.37) MAPK1ALDH1A1CRHBPCRHR2SMN1; 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
US-20070185226-A1 NOVEL POLYMERIZABLE COMPOUND, POLYMER, POSITIVE-RESIST COMPOSITION, AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-09 US disclosed