SCHEMBL29367682

SCHEMBL29367682

Clc1cccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.42
CYP2A6 P11509 4/20 0.42
MAP2 P11137 1/20 0.41
ACHE P22303 2/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
FABP3 P05413 2/20 0.37
FABP4 P15090 2/20 0.37
DYRK1A Q13627 1/20 0.37
FABP5 Q01469 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 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
SCHEMBL1758344 1.00 CYP1A2 (0.42) CYP1A2CYP2A6MAP2ACHEESR1
SCHEMBL28391800 0.96 CYP1A2 (0.46) CYP1A2CYP2A6MAP2ACHEESR1
SCHEMBL22512513 0.81 CYP2A6 (0.50) CYP1A2CYP2A6MAP2ACHEESR1
SCHEMBL15202607 0.81 ACHE (0.47) ACHEDYRK1ATSHRMAPTMAPK1
SCHEMBL7918675 0.80 CYP1A2 (0.48) CYP1A2CYP2A6MAP2ACHEESR1
SCHEMBL7270754 0.79 ACHE (0.50) CYP1A2ACHEESR1ESR2LMNA
SCHEMBL5599120 0.78 ACHE (0.42) CYP1A2ACHEESR1ESR2THRA
SCHEMBL14887253 0.78 ALDH1A1 (0.42) CYP1A2CYP2A6ACHECYP2C9CYP2C19
SCHEMBL23639129 0.77 MAP2 (0.38) CYP1A2CYP2A6MAP2ACHEESR1
SCHEMBL28811029 0.77 ESR1 (0.50) CYP1A2CYP2A6ACHEESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111378141-B Force-induced response supramolecular polymer 厦门天策材料科技有限公司 2023-04-07 CN disclosed
CN-111040204-B Force-induced response dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-01-24 CN disclosed
US-11355676-B2 Light emitting diode BARETZ BRUCE H (US) 2022-06-07 US disclosed
CN-111868105-B Photopolymerizable sensitizer composition 川崎化成工业株式会社 2022-05-13 CN disclosed
US-20220085256-A1 LIGHT EMITTING DIODE BARETZ BRUCE H (US) 2022-03-17 US disclosed
CN-111040110-B Force-induced response dynamic polymer and application thereof 厦门天策材料科技有限公司 2022-03-11 CN disclosed
CN-114001114-A Flexible energy absorption system with concave corner structure 厦门天策材料科技有限公司 2022-02-01 CN disclosed
CN-113997650-A Multilayer structure assembly with force-induced responsiveness 厦门天策材料科技有限公司 2022-02-01 CN disclosed
CN-113980335-A 3D printing dilatancy energy-absorbing structure and preparation method thereof 厦门天策材料科技有限公司 2022-01-28 CN disclosed