SCHEMBL23664322

SCHEMBL23664322

CCCCOC(=O)C12CCCC1C(C)=NO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MIF P14174 2/20 0.32
CYP3A4 P08684 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL23664294 0.92 CYP3A4 (0.33) LMNASMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23664478 0.89
SCHEMBL23664310 0.88 KDM4E (0.35) LMNAPOLBSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23664347 0.86 TSHR (0.33) LMNAHSD17B10ALDH1A1CYP3A4ABCB11
SCHEMBL23664529 0.86
SCHEMBL23664299 0.86
SCHEMBL23664345 0.86
SCHEMBL23664352 0.86 HTT (0.31)
SCHEMBL23664568 0.85
SCHEMBL23664348 0.82 KMT2A (0.36) POLBALDH1A1CYP3A4CYP1A2CYP2D6

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-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 WO disclosed