SCHEMBL25258472

SCHEMBL25258472

CC(C)(C)c1ccc(-c2ccccc2)c(F)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.40
ALOX5AP P20292 7/20 0.40
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLK1 P53350 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 2/20 0.32
FABP2 P12104 1/20 0.32
AKR1C4 P17516 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
SLC22A6 Q4U2R8 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
SCHEMBL15853185 0.86 ALOX5AP (0.39) FEN1ALOX5APMEN1KMT2ATSHR
SCHEMBL28506719 0.82 ALDH1A1 (0.35) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL15853178 0.81 FEN1 (0.40) FEN1ALOX5APMEN1KMT2ATSHR
SCHEMBL30135690 0.78 ALDH1A1 (0.32) FEN1ALOX5APTSHRALDH1A1TDP1
SCHEMBL6677589 0.78 ALDH1A1 (0.38) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL348409 0.78 ALDH1A1 (0.32) FEN1ALOX5APTSHRALDH1A1TDP1
SCHEMBL15853184 0.78 PLK1 (0.38) FEN1ALOX5APMEN1KMT2ATSHR
SCHEMBL18074251 0.78 ALDH1A1 (0.32) TSHRALDH1A1TDP1ESR2
SCHEMBL28882059 0.78 ALDH1A1 (0.38) FEN1ALOX5APMEN1KMT2ATSHR
SCHEMBL15853146 0.77 HSD11B1 (0.40) FEN1ALOX5APTSHRALDH1A1TDP1

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-2023101004-A1 OLEFIN RESIN, METHOD FOR MANUFACTURING SAME, AND APPLICATION FOR SAME 三井化学株式会社 2023-06-08 WO disclosed