SCHEMBL11524006

SCHEMBL11524006

CCCCCCCCCCCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
GRM2 Q14416 1/20 0.42
SPHK1 Q9NYA1 3/20 0.42
HRH3 Q9Y5N1 4/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL11523764 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL11523768 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL11525037 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL11524189 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL11527389 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL11527385 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL9632203 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL11524192 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL11524002 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1
SCHEMBL5953093 1.00 TSHR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1

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
US-4154697-A Liquid crystalline hexahydroterphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1979-05-15 US disclosed