SCHEMBL28630489

SCHEMBL28630489

C=CC(=O)OCCCCCCCCCCc1c(C(=O)O)c(C(=O)O)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 4/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.35
HCAR2 Q8TDS4 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 1/20 0.32
THRA P10827 1/20 0.32
APP P05067 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21314238 0.88 THRB (0.46) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9509885 0.88 TSHR (0.63) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL30593333 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL29596732 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL29367471 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL30049822 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL1265100 0.86 TSHR (0.49) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL29487385 0.86 TSHR (0.49) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL10388567 0.85 TSHR (0.59) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9633050 0.82 TSHR (0.55) TSHRALDH1A1CYP3A4THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113440418-A Dental polymerizable composition 株式会社GC 2021-09-28 CN disclosed