SCHEMBL19601191

SCHEMBL19601191

CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(F)cc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
RIPK1 Q13546 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 4/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA2 P00918 1/20 0.39
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.37
SSTR3 P32745 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL2704437 0.94 RIPK1 (0.46) GAARIPK1ALDH1A1KMT2ALMNA
SCHEMBL3428114 0.89 RIPK1 (0.42) SMN1; SMN2GAARIPK1ALDH1A1LMNA
SCHEMBL17269409 0.89 NR4A2 (0.43) RIPK1TAS2R14ALDH1A1KMT2AKDM4E
SCHEMBL3426366 0.88 MLYCD (0.42) SMN1; SMN2RIPK1TAS2R14ALDH1A1KDM4E
SCHEMBL3681592 0.86 PTPN1 (0.39) SMN1; SMN2TAS2R14ALDH1A1KMT2AKDM4E
SCHEMBL4651747 0.86 NPC1 (0.41) SMN1; SMN2RIPK1TAS2R14ALDH1A1KMT2A
SCHEMBL4651748 0.86 NPC1 (0.41) SMN1; SMN2RIPK1TAS2R14KMT2ALMNA
Fluoride SCHEMBL28209043 0.85 NPC1 (0.41) SMN1; SMN2RIPK1TAS2R14KMT2ALMNA
SCHEMBL19601161 0.85 POLB (0.48) KMT2ALMNACA2HSD11B1POLB
SCHEMBL4424478 0.84 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1KMT2AKDM4ECA2

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-2017195428-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK DIC株式会社 2017-11-16 WO disclosed