SCHEMBL28625864

SCHEMBL28625864

CC1(CC(=O)O)CCC(O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.34
BLM P54132 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 1/20 0.32
GPBAR1 Q8TDU6 6/20 0.32
PTGS1 P23219 1/20 0.32
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HSD11B1 P28845 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13424005 0.83 CYP1A2 (0.48) CYP1A2CYP2C19BLMUSP2ALDH1A1
SCHEMBL598110 0.81
SCHEMBL13593731 0.78 CYP1A2 (0.37) CYP1A2CYP2C19ALDH1A1LMNAPTGS1
SCHEMBL28777690 0.78 CYP1A2 (0.37) CYP1A2CYP2C19BLMALDH1A1LMNA
SCHEMBL5534731 0.77
SCHEMBL1480296 0.77 CYP2C19 (0.50) CYP1A2CYP2C19BLMUSP2ALDH1A1
SCHEMBL19376343 0.76 CYP1A2 (0.36) CYP1A2CYP2C19ALDH1A1LMNATSHR
SCHEMBL28133967 0.76 LMNA (0.39) CYP1A2CYP2C19BLMUSP2ALDH1A1
SCHEMBL27860233 0.76 CYP1A2 (0.37) CYP1A2CYP2C19BLMUSP2ALDH1A1
SCHEMBL24515878 0.75 KMT2A (0.41) CYP1A2ALDH1A1LMNATSHRGPBAR1

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-110014679-B Method for producing stretched film 柯尼卡美能达株式会社 2021-09-14 CN disclosed