SCHEMBL28317682

SCHEMBL28317682

CC#CC(C)(C)CCCCCCCCC

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
SCHEMBL6715610 0.79 TSHR (0.36) TSHRTHRBFDPSALDH1A1GGPS1
SCHEMBL7644051 0.77 FDPS (0.41) FDPSSMPD1GGPS1
SCHEMBL7190344 0.76 TSHR (0.35) TSHRTHRBFDPS
SCHEMBL28608957 0.76 FDPS (0.35) FDPSSMPD1GGPS1
Hydrochloric Acid SCHEMBL10492562 0.76 SMPD1 (0.42) TSHRFDPSSMPD1DNM1MEN1
Hydrochloric Acid SCHEMBL10492621 0.76 SMPD1 (0.42) TSHRFDPSSMPD1DNM1MEN1
Hydrochloric Acid SCHEMBL10492745 0.76 SMPD1 (0.42) TSHRFDPSSMPD1DNM1MEN1
Hydrochloric Acid SCHEMBL10550171 0.76 SMPD1 (0.42) TSHRFDPSSMPD1DNM1MEN1
Hydrochloric Acid SCHEMBL10552275 0.76 SMPD1 (0.42) TSHRFDPSSMPD1DNM1MEN1
Bromide SCHEMBL10492729 0.76 SMPD1 (0.42) 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-106221236-B Can room temperature or heating gelation preparation two-component heat-conducting silicone grease and preparation method thereof 深圳市金无曼工业新材料有限公司 2019-09-10 CN disclosed