SCHEMBL4604350

SCHEMBL4604350

Cc1ccc(CC(C)CCO)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.36
GRM2 Q14416 3/20 0.35
TRPA1 O75762 1/20 0.35
CPB2 Q96IY4 2/20 0.34
ABL1 P00519 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CPA1 P15085 1/20 0.32
PTAFR P25105 1/20 0.32
GLS O94925 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
SCHEMBL24973095 0.84 KMT2A (0.41) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL15121087 0.80 KMT2A (0.43) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL2757254 0.77 LMNA (0.46) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL4440798 0.76 TAAR1 (0.41) TRPA1
SCHEMBL958610 0.74 SMN1; SMN2 (0.50) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL12197959 0.74 MEN1 (0.44) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL4353619 0.74 TSHR (0.53) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL29450849 0.74 TSHR (0.53) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL132853 0.73
SCHEMBL29450844 0.73

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
EP-1915338-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-04-30 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed