SCHEMBL6944126

SCHEMBL6944126

C=CC[C@@](O)(C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
TSHR P16473 1/20 0.67
HTT P42858 1/20 0.58
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 3/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 2/20 0.38
AKT1 P31749 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7385780 1.00 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL11864496 0.91 ALDH1A1 (0.62) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL13682938 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL197860 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL1035978 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL4015143 0.80 KCNN4 (0.53) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL5325708 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL8358191 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL7715181 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL7769347 0.80 ALDH1A1 (1.00) ALDH1A1TSHRHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6639095-B1 Enantioselective synthesis employing 10-camphorsulfonamide as chiral auxiliary through 1,3-dioxolanones Chan, Hardy W. 2003-10-28 US claimed
EP-1233939-A4 PROCESS FOR PREPARING OPTICALLY ACTIVE ALPHA-HYDROXY ACIDS AND DERIVATIVES THEREOF SCINOPHARM SINGAPORE PTE LTD (SG) 2003-07-09 EP claimed
CN-1379748-A Process for preparing optically active alpha-hydroxy acids and derivatives thereof SCINOPHARM SINGAPORE PTE LTD (SG) 2002-11-13 CN claimed
EP-1233939-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ALPHA-HYDROXY ACIDS AND DERIVATIVES THEREOF Scinopharm Singapore Pte Ltd. (SG) 2002-08-28 EP claimed
WO-2001040153-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE α-HYDROXY ACIDS AND DERIVATIVES THEREOF SCINOPHARM SINGAPORE PTE LTD. (SG) 2001-06-07 WO claimed
US-6639095-B1 Enantioselective synthesis employing 10-camphorsulfonamide as chiral auxiliary through 1,3-dioxolanones Chan, Hardy W. 2003-10-28 US disclosed
CN-1379748-A Process for preparing optically active alpha-hydroxy acids and derivatives thereof SCINOPHARM SINGAPORE PTE LTD (SG) 2002-11-13 CN disclosed