SCHEMBL29027652

SCHEMBL29027652

CCCCCCCCC(CC)(CCCCCCCC)NN

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
FDPS P14324 4/20 0.38
SMPD1 P17405 2/20 0.38
DNM1 Q05193 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
GGPS1 O95749 1/20 0.35

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
SCHEMBL29027614 1.00 TSHR (0.38) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL29027951 1.00 TSHR (0.38) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL3001808 1.00 TSHR (0.38) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL29027564 0.98 FDPS (0.35) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL11805920 0.93 GGPS1 (0.37) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL29027687 0.90 FDPS (0.33) TSHRFDPS
SCHEMBL7597230 0.86 TSHR (0.38) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL7596164 0.86 TSHR (0.38) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL7593376 0.86 TSHR (0.38) TSHRTHRBFDPSSMPD1DNM1
SCHEMBL7601029 0.86 TSHR (0.38) TSHRTHRBFDPSSMPD1DNM1

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
CN-116209525-A Method for flotation of silicate-containing iron ore 巴斯夫欧洲公司 2023-06-02 CN disclosed