SCHEMBL10549659

SCHEMBL10549659

[CH2]c1cccc(CC(=C)Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ CTBP2 P56545 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL8152913 0.79 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8255911 0.78 CTBP2 (0.49) CTBP2
SCHEMBL8249498 0.78 TP53 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21597977 0.77 HTR3E (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3365644 0.75 AKR1B1 (0.58) —
SCHEMBL3113565 0.75 CES1 (0.50) CTBP2EPHX2
SCHEMBL8252472 0.73 CTBP2 (0.53) CTBP2
SCHEMBL10548906 0.73 ENPP2 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1355134 0.73 — —
SCHEMBL10546280 0.73 LMNA (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4827051-A INSECTICIDE INTERMEDIATE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-05-02 — — US disclosed
US-4668702-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-05-26 — — US disclosed
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