SCHEMBL28049422

SCHEMBL28049422

C[CH]CC(CCC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
DNM1 Q05193 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
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 3/20 0.32
THRB P10828 1/20 0.32
GPR84 Q9NQS5 2/20 0.31

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
SCHEMBL27942248 0.98 LMNA (0.48) LMNAOPRM1ALDH1A1DNM1TSHR
SCHEMBL28100160 0.98 LMNA (0.48) LMNAOPRM1ALDH1A1DNM1TSHR
SCHEMBL27836473 0.95 LMNA (0.48) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL27942319 0.93 LMNA (0.52) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL28099988 0.93 ALDH1A1 (0.41) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL27953209 0.93 LMNA (0.46) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL27953219 0.93 LMNA (0.52) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL27953206 0.93 LMNA (0.52) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL27942243 0.91 LMNA (0.50) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL28100081 0.91 LMNA (0.50) LMNAOPRM1ALDH1A1TDP1DNM1

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-103068786-B Cosmetic preparation COGNIS IP MANAGEMENT GMBH (DE) 2016-01-20 CN disclosed