SCHEMBL10787474

SCHEMBL10787474

CCCCC(=O)C1(c2ccc(C(=O)CC)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B3 P37058 7/20 0.43
HTR7 P34969 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
THRB P10828 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL10790829 0.96 SMN1; SMN2 (0.44) MEN1KMT2AHSD17B3HTR7TSHR
SCHEMBL10787328 0.96 MEN1 (0.46) MEN1KMT2AHSD17B3HTR7TSHR
SCHEMBL10791058 0.93 HSD17B3 (0.51) MEN1KMT2AHSD17B3HTR7TSHR
SCHEMBL10790545 0.92 MEN1 (0.47) MEN1KMT2AHSD17B3HTR7TSHR
SCHEMBL10791622 0.90 HSD17B3 (0.51) MEN1KMT2AHSD17B3HTR7THRB
SCHEMBL10791701 0.90 HSD17B3 (0.51) MEN1KMT2AHSD17B3HTR7THRB
SCHEMBL10791339 0.89 HSD17B3 (0.48) MEN1KMT2AHSD17B3HTR7TSHR
SCHEMBL10791002 0.89 HSD17B3 (0.52) MEN1KMT2AHSD17B3HTR7ATM
SCHEMBL10791272 0.89 HSD17B3 (0.53) MEN1KMT2AHSD17B3HTR7TSHR
SCHEMBL10790602 0.88 SMN1; SMN2 (0.49) MEN1KMT2AHSD17B3HTR7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155317-B1 LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR MERCK PATENT GmbH (DE) 1987-07-08 EP disclosed