SCHEMBL23635693

SCHEMBL23635693

CCOC(=O)c1cccc(COC)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.64
CYP4A11 Q02928 2/20 0.64
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
MEP1B Q16820 1/20 0.56
KDM4E B2RXH2 1/20 0.53
CA2 P00918 3/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50

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
SCHEMBL27980684 0.87 CYP4F2 (0.64) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL27801450 0.87 RAB9A (0.53) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL129801 0.86 CYP4F2 (0.71) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL20830625 0.86 TDP1 (0.67) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL23471232 0.86 CYP4F2 (0.53) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL1544193 0.85 LOXL2 (0.70) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL31276343 0.85 LOXL2 (0.70) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL23471250 0.84 SLC7A5 (0.59) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL10144991 0.84 CYP4F2 (0.69) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL13232626 0.84 BCL2 (0.55) CYP4F2CYP4A11MAPTRAB9AALDH1A1

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-2021139482-A1 CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed