SCHEMBL9017716

SCHEMBL9017716

CCC(O)(OC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30594259 0.79 ALDH1A1 (0.42) GAAALDH1A1TSHR
SCHEMBL9013527 0.77 ALDH1A1 (0.38) ALDH1A1TSHRMEN1CYP1A2THRB
SCHEMBL28492858 0.76 SMPD1 (0.41) ALDH1A1TSHRMEN1KMT2A
SCHEMBL9743670 0.76 ALDH1A1 (0.41) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL28492857 0.76 SMPD1 (0.41) ALDH1A1TSHRMEN1KMT2A
SCHEMBL11383349 0.75
SCHEMBL9704412 0.73 GAA (0.39) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL9624822 0.73 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10TSHRMEN1
SCHEMBL2474973 0.73 GAA (0.39) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL9017777 0.73 PAM (0.39) ALDH1A1LMNAHSD17B10TSHRMEN1

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
JP-8113795-A None JP disclosed
JP-H08113795-A PERFUME COMPOSITION T HASEGAWA CO LTD 1996-05-07 JP disclosed