SCHEMBL11215449

SCHEMBL11215449

O=C1CC(Cc2ccc(Cl)cc2)C(=O)C1c1ccc(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR5 P51681 4/20 0.33
FFAR1 O14842 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL2785808 0.68 POLB (0.46) SMN1; SMN2LMNAMAPTKMT2AFFAR1
SCHEMBL11218191 0.66 CA1 (0.32) ALDH1A1KMT2A
SCHEMBL30525231 0.63 MAOB (0.37) MAOB
SCHEMBL11298859 0.63 ALDH1A1 (0.38) TSHRALDH1A1KMT2ACNR1
SCHEMBL31296362 0.62 POLB (0.71) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL11216675 0.62 HTR2A (0.39)
SCHEMBL31296376 0.62 MAOB (0.40) MAOBTSHRCCR5CNR1
SCHEMBL11215609 0.62 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL11223639 0.61 PBRM1 (0.31)
SCHEMBL11791432 0.61 POLB (0.46) MAOBTSHRALDH1A1SMN1; SMN2LMNA

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-4338122-A MITICIDES, HERBICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed
US-4283348-A SODIUM ETHOXIDE PROMOTED CYCLIZATION OF LEVULINIC ACID ESTERS UNION CARBIDE CORPORATION (US) 1981-08-11 US disclosed