SCHEMBL28872467

SCHEMBL28872467

CC(CCCO)COC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
ALDH1A1 P00352 1/20 0.45
ADRB2 P07550 7/20 0.41
ADRB1 P08588 7/20 0.41
ADRB3 P13945 7/20 0.41
TDP1 Q9NUW8 1/20 0.41
FOLH1 Q04609 2/20 0.40
SLC7A5 Q01650 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL21143365 0.94 CYP4F2 (0.50) MAPTCYP4F2CYP4A11ALDH1A1ADRB2
SCHEMBL7783361 0.89 TDP1 (0.51) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL27100548 0.86 MAPT (0.56) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2819868 0.86 MAPT (0.55) MAPTCYP4F2CYP4A11ALDH1A1ADRB2
SCHEMBL9770903 0.83 ADRB2 (0.45) MAPTCYP4F2CYP4A11ALDH1A1ADRB2
Isophthalic Acid SCHEMBL30288569 0.83 CA12 (0.42) MAPTFOLH1KDM4ENPC1RAB9A
SCHEMBL21143389 0.82 MAPT (0.57) MAPTCYP4F2CYP4A11ALDH1A1ADRB2
SCHEMBL3087849 0.81 ALDH1A1 (0.49) CYP4F2CYP4A11ALDH1A1ADRB2ADRB1
SCHEMBL10455395 0.81 ALDH1A1 (0.54) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6444519 0.80 MAPT (0.50) MAPTCYP4F2CYP4A11ALDH1A1ADRB2

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
CN-109791381-A Electrophotographic photoreceptor, and electrophotographic process cartridge and image forming apparatus containing the same 三菱化学株式会社 2019-05-21 CN disclosed