SCHEMBL23718577

SCHEMBL23718577

C/C=C\c1ccc(F)c(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
NFE2L2 Q16236 3/20 0.40
CYP3A4 P08684 2/20 0.38
ATM Q13315 1/20 0.38
TYR P14679 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGES O14684 2/20 0.33
PDK2 Q15119 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
PABPC1 P11940 1/20 0.32
RAB9A P51151 1/20 0.32
EIF4H Q15056 1/20 0.32
ALOX5 P09917 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
SCHEMBL24370508 0.85 CNR2 (0.41) CNR2NFE2L2CYP3A4ATMTYR
SCHEMBL18488343 0.78 TYR (0.47) TYRALDH1A1TSHRKDM4ERAB9A
SCHEMBL29956336 0.78 TYR (0.47) TYRALDH1A1TSHRKDM4ERAB9A
SCHEMBL18488113 0.78 NFE2L2 (0.33) NFE2L2
SCHEMBL18488056 0.78 ALDH1A1 (0.39) NFE2L2ALDH1A1MAPTLMNATP53
SCHEMBL7655780 0.77 NFE2L2 (0.63) CNR2NFE2L2CYP3A4ATMTYR
SCHEMBL7654214 0.77 NFE2L2 (0.63) CNR2NFE2L2CYP3A4ATMTYR
SCHEMBL7654210 0.77 NFE2L2 (0.63) CNR2NFE2L2CYP3A4ATMTYR
SCHEMBL16953105 0.74 NFE2L2 (0.48) CNR2NFE2L2CYP3A4ATMTYR
SCHEMBL10624527 0.74 TUBB1 (0.49) CNR2NFE2L2CYP3A4ATMTYR

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
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP disclosed