Propane

Propane

SCHEMBL28825828

CCC.Cc1nc2cccc(O)c2o1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 1/20 0.47
MAPK10 P53779 1/20 0.47
ELANE P08246 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ACHE P22303 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 1/20 0.39
EGFR P00533 1/20 0.38
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 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
SCHEMBL2045577 0.94 ALDH1A1 (0.48) MTNR1AMTNR1BMAPTKMT2AESR1
SCHEMBL2431975 0.76 MTNR1A (0.57) MTNR1AMTNR1BMAPTKMT2AESR1
SCHEMBL5542790 0.75 ELANE (0.56) MTNR1AMTNR1BMAPTKMT2AESR1
SCHEMBL9757062 0.73 MAOA (0.54) MAPTKMT2AESR1KDM4EALDH1A1
SCHEMBL15691421 0.72 ELANE (0.45) MTNR1AMTNR1BMAPTKMT2AESR1
SCHEMBL12778287 0.72 ACHE (0.43) MAPTKMT2AESR1KDM4EALDH1A1
SCHEMBL9305490 0.72 ACHE (0.43) MAPTKMT2AALDH1A1ACHEMAOA
SCHEMBL9304178 0.72 ACHE (0.43) MAPTKMT2AESR1ALDH1A1ACHE
SCHEMBL25113500 0.72 ELANE (0.47) MTNR1AMTNR1BMAPTKMT2AESR1
SCHEMBL9118476 0.72 ESR2 (0.42) MTNR1AMTNR1BMAPTKMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700709-A Polycarbonate and preparation method and application thereof 拓烯科技(衢州)有限公司 2024-03-15 CN claimed
CN-105175706-A High-light-permeability panlite and production method thereof NINGBO OCEANKING CHEMICAL DEV CO LTD 2015-12-23 CN claimed
CN-117964890-A Preparation method and application of isosorbide type copolycarbonate 中化学科学技术研究有限公司 2024-05-03 CN disclosed
CN-117700709-A Polycarbonate and preparation method and application thereof 拓烯科技(衢州)有限公司 2024-03-15 CN disclosed
CN-105175706-A High-light-permeability panlite and production method thereof NINGBO OCEANKING CHEMICAL DEV CO LTD 2015-12-23 CN disclosed