SCHEMBL11289321

SCHEMBL11289321

ClCCCc1ccc(C2CC3CCC2C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A3 Q01959 9/20 0.35
SLC6A4 P31645 6/20 0.33
SPHK1 Q9NYA1 2/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL5749571 0.81 MEN1 (0.53) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL900460 0.79 MEN1 (0.66) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL17556991 0.77 MEN1 (0.56) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL16068413 0.77 MEN1 (0.51) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL17556992 0.77 MEN1 (0.56) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL11284395 0.75 POLB (0.43) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL23338337 0.74 POLB (0.56) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL30501155 0.74 POLB (0.56) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL21409728 0.71 MEN1 (0.56) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL25171587 0.71 MEN1 (0.56) MEN1POLBGAAKMT2ASLC6A3

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
US-4328380-A Substituted phenylpropyl halides BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
EP-0009077-B1 SUBSTITUTED PHENYLPROPYL HALIDES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1981-09-30 EP disclosed
US-4250123-A CHEMICAL INTERMEDIATES FOR FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
EP-0009077-A1 Substituted phenylpropyl halides, their preparation and use BASF Aktiengesellschaft (DE) 1980-04-02 EP disclosed