SCHEMBL28363043

SCHEMBL28363043

CCOC(=O)CCC1(C)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR174 Q9BXC1 2/20 0.34
▸ BCL6 P41182 1/20 0.34
▸ BCOR Q6W2J9 1/20 0.34
▸ VCAM1 P19320 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GUSB P08236 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ SSTR5 P35346 1/20 0.31

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
SCHEMBL25166774 0.89 AKR1B1 (0.36) MAPTLMNAGUSBPGR
SCHEMBL28363145 0.85 SSTR5 (0.33) KDM4EALDH1A1SMN1; SMN2LMNASSTR5
SCHEMBL22714339 0.84 MAPT (0.36) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL29438153 0.84 MAPT (0.36) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL29438157 0.84 MAPT (0.38) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21635547 0.84 MAPT (0.38) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21635540 0.83 ESPL1 (0.37) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL25061603 0.81 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL25061604 0.79 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL22714353 0.77 CA1 (0.41) MAPTALDH1A1LMNAPGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818699-B Isoxazoline compound and application thereof 沈阳中化农药化工研发有限公司 2022-08-02 — — CN disclosed
CN-110818699-A Isoxazoline compound and application thereof 沈阳中化农药化工研发有限公司 2020-02-21 — — CN disclosed
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