SCHEMBL5349565

SCHEMBL5349565

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
TP53 P04637 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 4/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 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
SCHEMBL5349553 0.87 MGAM (0.46) TP53MGAMGAASIMGAM2
SCHEMBL242500 0.82 TSHR (0.47) LDHASRRTSHRMMP1MMP2
SCHEMBL11453250 0.80 MGAM (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL3415362 0.79 LDHA (0.42) LDHASRRTSHRSLC22A6
SCHEMBL11205973 0.78 CYP19A1 (0.38) LDHASRRTSHRMMP1MMP2
SCHEMBL5859547 0.78 MMP1 (0.38) LDHASRRTSHRMMP1MMP2
SCHEMBL9065300 0.78 LDHA (0.36) LDHASRRTSHRMMP1MMP2
Benzene SCHEMBL28101101 0.78 TSHR (0.53) LDHASRRGAATSHRALDH1A1
SCHEMBL27477349 0.78 GABRP (0.39) LDHASRRTSHRMMP1MMP2
SCHEMBL902897 0.78 EGLN1 (0.46) TSHRLMNAGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250180-B2 Anti-prostate cancer composition and therapeutic uses therefor SINHUE LLC 2007-07-31 US disclosed
US-20050147701-A1 Anti-prostate cancer composition and therapeutic uses therefor SINHUE LLC 2005-07-07 US disclosed