SCHEMBL28100162

SCHEMBL28100162

CC[CH]CC(CCCC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 2/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
OPRM1 P35372 1/20 0.37
CA2 P00918 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32
MAPT P10636 1/20 0.32
FDPS P14324 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
SCHEMBL10412954 0.95 LMNA (0.50) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL28100016 0.95 LMNA (0.50) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL7758121 0.91 ALDH1A1 (0.39) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL9210989 0.86 LMNA (0.46) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL4920279 0.86 ALDH1A1 (0.50) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL100837 0.85 LMNA (0.54) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL100272 0.85 LMNA (0.54) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL28099994 0.82 LMNA (0.46) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL27953212 0.82 LMNA (0.46) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL28100161 0.82 LMNA (0.46) LMNAALDH1A1TDP1DNM1TSHR

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-103619987-B Color converter 巴斯夫欧洲公司 2016-11-16 CN disclosed