SCHEMBL8060386

SCHEMBL8060386

CC(C)C(=O)C[C@H](O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
TET2 Q6N021 6/20 0.46
TET3 O43151 2/20 0.46
TET1 Q8NFU7 1/20 0.46
OR51E2 Q9H255 1/20 0.43
TP53 P04637 1/20 0.43
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
ABCB11 O95342 1/20 0.36
F2 P00734 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL8060390 1.00 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL8071224 1.00 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL4410670 0.84 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2
Ammonia Solution, Strong SCHEMBL5697795 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL2059417 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL3985265 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL2935591 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL10308337 0.79 ALDH1A1 (0.32) SMN1; SMN2TP53ALDH1A1TDP1
SCHEMBL10308563 0.79 ALDH1A1 (0.38) SMN1; SMN2TP53ALDH1A1TDP1
SCHEMBL10308606 0.79 ALDH1A1 (0.38) SMN1; SMN2TP53ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620857-B1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LTD (GB) 2000-08-02 EP disclosed
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US disclosed
EP-0620857-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS Genzyme Limited (GB) 1994-10-26 EP disclosed
WO-1993013215-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LIMITED (GB) 1993-07-08 WO disclosed