SCHEMBL28100183

SCHEMBL28100183

C=C=C.O=C1C=C(c2ccccc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.41
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
PTPN1 P18031 2/20 0.36
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B3 P37058 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
PRKD3 O94806 2/20 0.34
PRKCG P05129 2/20 0.34
PRKCB P05771 2/20 0.34
PRKCA P17252 2/20 0.34
PRKCH P24723 2/20 0.34
PRKCI P41743 2/20 0.34
PRKCE Q02156 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCZ Q05513 2/20 0.34
PRKCD Q05655 2/20 0.34

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
Ethylene SCHEMBL27950511 0.92 BACE1 (0.43) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL41940 0.92 BACE1 (0.46) BACE1MAOAMAOBPTPN1PTPRC
Benzene SCHEMBL29048034 0.92 BACE1 (0.46) BACE1MAOAMAOBPTPN1PTPRC
Water SCHEMBL28751457 0.90 BACE1 (0.45) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL28406785 0.90 BACE1 (0.45) BACE1MAOAMAOBPTPN1PTPRC
Hydrochloric Acid SCHEMBL28877622 0.90 BACE1 (0.45) BACE1MAOAMAOBPTPN1PTPRC
Ammonia Solution, Strong SCHEMBL27711207 0.90 BACE1 (0.45) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL15841339 0.90 BACE1 (0.45) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL30645576 0.90 BACE1 (0.45) BACE1MAOAMAOBPTPN1PTPRC
Nitrogen SCHEMBL28375481 0.88 BACE1 (0.43) BACE1MAOAMAOBPTPN1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105273725-B Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display element JSR株式会社 2018-07-24 CN disclosed
CN-104756002-B Aligning agent for liquid crystal, liquid crystal orientation film and its manufacturing method and liquid crystal display element JSR株式会社 2018-06-08 CN disclosed
CN-107667143-A The method for preparing the thermoplastic polymer composition with the optimization degree of cross linking 英力士苯领集团股份公司 2018-02-06 CN disclosed
CN-106029774-A Molding material for 3-D printing based on vinyl aromatic polymers 英力士苯领集团股份公司 2016-10-12 CN disclosed