SCHEMBL9339607

SCHEMBL9339607

CCCCCCOC(Cl)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.47
LMNA P02545 1/20 0.38
THRB P10828 2/20 0.36
TSHR P16473 1/20 0.36
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 4/20 0.36
LPAR2 Q9HBW0 1/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL27808679 0.93 DNM1 (0.43) DNM1THRBLPAR1LPAR3LPAR2
SCHEMBL27478603 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL9602049 0.90 LMNA (0.48) DNM1LMNATHRBTSHRMEN1
SCHEMBL27479414 0.88 DNM1 (0.43) DNM1THRBLPAR1LPAR3LPAR2
SCHEMBL8114496 0.86 ADRB2 (0.36) DNM1TSHR
SCHEMBL11445837 0.85 MEN1 (0.45) DNM1LMNATHRBTSHRLPAR1
SCHEMBL31296272 0.83 ADRB2 (0.38) DNM1LMNATSHR
SCHEMBL9865981 0.82 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL8108490 0.81 ADRB2 (0.36) DNM1TSHR
SCHEMBL8108694 0.81 DNM1 (0.35) DNM1TSHR

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
US-5319150-A Chloroalkylation of aromatic compounds ALBEMARLE CORPORATION (US) 1994-06-07 US disclosed
US-5136115-A BROMOALKYLATION OF AROMATIC COMPOUNDS ALBERMARLE CORPORATION 1992-08-04 US disclosed
EP-0369728-A1 Haloalkylation of aromatic compounds ETHYL CORPORATION (US) 1990-05-23 EP disclosed