SCHEMBL21256849

SCHEMBL21256849

COc1cc(C=O)cc(OC)c1NCC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ FDPS P14324 1/20 0.39
▸ PDE6D O43924 1/20 0.39
▸ PDE6A P16499 1/20 0.39
▸ PDE6G P18545 1/20 0.39
▸ PDE6B P35913 1/20 0.39
▸ PDE6C P51160 1/20 0.39
▸ PDE6H Q13956 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CRHR1 P34998 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21256817 0.83 FYN (0.45) FYNKMT2APDE6DPDE6APDE6G
SCHEMBL21259105 0.71 CNR2 (0.44) ALDH1A1
SCHEMBL28373126 0.69 ALDH1A1 (0.58) ALDH1A1TSHRFDPS
SCHEMBL7361245 0.69 ALDH1A1 (0.58) ALDH1A1TSHRFDPS
SCHEMBL22965291 0.69 KMT2A (0.45) FYNKMT2AKDM1ANPC1RAB9A
SCHEMBL21259117 0.69 KCNH3 (0.46) —
SCHEMBL8236716 0.68 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AFDPSSMN1; SMN2
SCHEMBL26326821 0.68 TDP1 (0.46) KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14837620 0.66 LMNA (0.50) ALDH1A1TSHRKMT2AFDPSSMN1; SMN2
SCHEMBL23759728 0.66 POLB (0.44) FYNPDE6DPDE6APDE6GPDE6B

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-2019154956-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO disclosed
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