SCHEMBL28518907

SCHEMBL28518907

Cc1cc(C)cc(C)c1.O=CC=O.O=CC=O.O=CC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
ERN1 O75460 2/20 0.46
TPMT P51580 1/20 0.43
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 2/20 0.39
CYP2A6 P11509 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
C1S P09871 1/20 0.35

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
Formamide SCHEMBL28156102 0.81 ALDH1A1 (0.53) ALDH1A1TSHRERN1TPMTCYP3A4
SCHEMBL27600325 0.81 ALDH1A1 (0.44) ALDH1A1TSHRERN1TPMTCYP3A4
SCHEMBL27842880 0.81 ALDH1A1 (0.44) ALDH1A1TSHRERN1TPMTCYP3A4
Formic Acid SCHEMBL27757675 0.81 ALDH1A1 (0.50) ALDH1A1TSHRERN1TPMTCYP3A4
SCHEMBL28425258 0.79 ALDH1A1 (0.57) ALDH1A1TSHRERN1TPMTCYP3A4
SCHEMBL19376983 0.79 ALDH1A1 (0.57) ALDH1A1TSHRERN1TPMTCYP3A4
SCHEMBL26115 0.78
SCHEMBL341533 0.78 ALDH1A1 (0.67) ALDH1A1TSHRTPMTCYP3A4MAPK1
Dimethylformamide SCHEMBL9300360 0.76 TSHR (0.56) ALDH1A1TSHRERN1TPMTCYP3A4
SCHEMBL280640 0.76 CYP2A6 (0.52) ALDH1A1TSHRERN1TPMTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112808006-B High-rejection-rate covalent organic framework membrane, and raw material composition and preparation method thereof 天津大学 2023-03-10 CN disclosed
CN-114761452-A Method for preparing hollow covalent organic framework material 浙江大学 2022-07-15 CN disclosed
CN-114605317-A Cyanostyrene molecule based on free radical photochromism and application thereof in intelligent glass 安徽大学 2022-06-10 CN disclosed
CN-110183601-B Preparation method and application of covalent organic framework material containing acylhydrazone bonds and disulfide bonds 天津大学 2022-02-01 CN disclosed
CN-109942814-B Pyridyl-containing conjugated microporous polymer and preparation method and application thereof 东华大学 2021-07-02 CN disclosed
CN-112808006-A High-rejection-rate covalent organic framework membrane, and raw material composition and preparation method thereof 天津大学 2021-05-18 CN disclosed
CN-112654599-A Preparation method and defect repair method of covalent organic framework material 浙江大学 2021-04-13 CN disclosed
CN-108219160-B Porphyrin organic framework hybrid and preparation method thereof 清华大学 2021-02-26 CN disclosed