SCHEMBL27467413

SCHEMBL27467413

CC(=O)OC(=O)CC(CC(=O)OC(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
SLC15A1 P46059 2/20 0.35
HSD17B10 Q99714 1/20 0.35
FOLH1 Q04609 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL14817887 0.89 SLC1A1 (0.38) TSHRALDH1A1TDP1CHRM1AKR1A1
SCHEMBL7372546 0.80 SLC15A1 (0.35) TSHRALDH1A1TDP1CHRM1AKR1A1
SCHEMBL6431576 0.79 SMN1; SMN2 (0.48) TSHRALDH1A1TDP1HSD17B10MMP1
SCHEMBL5369808 0.78 FOLH1 (0.50) TSHRTDP1CHRM1AKR1A1CHRM3
SCHEMBL27537199 0.77 TSHR (0.41) TSHRALDH1A1TDP1HRH1HSD17B10
SCHEMBL27480128 0.77 KMT2A (0.43) TSHRALDH1A1TDP1HSD17B10CA2
SCHEMBL7781249 0.77 GRIK1 (0.50) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL8979643 0.76 TDP1 (0.58) TSHRALDH1A1TDP1HSD17B10FOLH1
Acetic Acid SCHEMBL27618718 0.76 GRIK1 (0.48) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL8669433 0.75 SLC1A1 (0.47) TSHRTDP1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104703963-A F-18 radiolabeled compounds for diagnosing and monitoring kidney function KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD 2015-06-10 CN disclosed
CN-1153756-C Process for preparation of vinyl acetate �Ϻ���ͨ��ѧ 2004-06-16 CN disclosed
CN-1239943-A Process for the preparation of vinyl acetate EASTMAN CHEM CO (US) 1999-12-29 CN disclosed