SCHEMBL7998630

SCHEMBL7998630

CCC(C)c1ccccc1Nc1ccccc1C1(C)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL26115642 0.79 TSHR (0.57) TSHRPKMHTTLMNARECQL
SCHEMBL12680684 0.71 GABRA1 (0.38) TSHRLMNASMN1; SMN2
SCHEMBL31561701 0.71 LMNA (0.39) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6131393 0.71 PTGS2 (0.41) TSHRHTTLMNATDP1MEN1
SCHEMBL11810264 0.70 TSHR (0.50) TSHRPKMHTTLMNARECQL
SCHEMBL23341753 0.67 TSHR (0.55) TSHRPKMHTTLMNARECQL
SCHEMBL4089395 0.67 TSHR (0.55) TSHRPKMHTTLMNARECQL
SCHEMBL22624549 0.67 TSHR (0.55) TSHRPKMHTTLMNARECQL
SCHEMBL8790915 0.67 HSD17B10 (0.45) TSHRHTTKDM4ETDP1MEN1
SCHEMBL23862186 0.67 TSHR (0.43) TSHRPKMHTTKDM4E

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
WO-2000008032-A1 CATALYST LIGANDS USEFUL FOR CROSS-COUPLING REACTIONS SYMYX TECHNOLOGIES, INC. (US) 2000-02-17 WO disclosed