SCHEMBL28118600

SCHEMBL28118600

C=C(C(=O)OC)C1CCCCC1.C=CCOC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 1/20 0.34
EPHX1 P07099 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6871297 0.85 ALDH1A1 (0.43) ALDH1A1GAANPSR1CASP1EPHX1
SCHEMBL28188598 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1EPHX1TSHRTHRB
SCHEMBL2358955 0.80 ALDH1A1 (0.60) ALDH1A1MAPTTSHRTHRB
SCHEMBL27749723 0.80 CES2 (0.42) ALDH1A1NPSR1EPHX1TSHRSMN1; SMN2
SCHEMBL28328782 0.80 CES2 (0.42) ALDH1A1NPSR1EPHX1TSHRSMN1; SMN2
SCHEMBL2231567 0.80 CES2 (0.42) ALDH1A1NPSR1EPHX1TSHRSMN1; SMN2
SCHEMBL27801239 0.80 CES2 (0.42) ALDH1A1NPSR1EPHX1TSHRSMN1; SMN2
Methacrylic Acid SCHEMBL28100006 0.79 ALDH1A1 (0.43) ALDH1A1NPSR1EPHX1SMN1; SMN2
Acetic Acid SCHEMBL28288702 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1EPHX1SMN1; SMN2
SCHEMBL27969028 0.78 CES2 (0.41) ALDH1A1NPSR1EPHX1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106574020-B Copolymer and formed body 株式会社可乐丽 2019-03-19 CN disclosed
CN-104995223-B Copolymer and formed body 株式会社可乐丽 2017-09-08 CN disclosed
CN-106574020-A Copolymer and molded article 株式会社可乐丽 2017-04-19 CN disclosed