SCHEMBL7902016

SCHEMBL7902016

CC(C)[Mg]Cl.CCCCCC[Mg]Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
DNM1 Q05193 6/20 0.35
TRPM8 Q7Z2W7 4/20 0.33
OPRM1 P35372 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL11690578 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL6107195 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL305825 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL10318693 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL699509 0.87
SCHEMBL8447776 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL119677 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL146783 0.87
SCHEMBL3277853 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL11661753 0.87 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA

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-6204215-B1 AS POLYMERIZATION CATALYST FOR PRODUCING STEREOSPECIFIC POLYMERS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-20 US disclosed