SCHEMBL16618698

SCHEMBL16618698

CCCCCC(N)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.50
FDPS P14324 4/20 0.41
SPHK2 Q9NRA0 1/20 0.37
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 4/20 0.33
GGPS1 O95749 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL16618581 0.97 SMPD1 (0.53) SMPD1FDPSSPHK2TSHRTHRB
SCHEMBL8979923 0.97 SMPD1 (0.53) SMPD1FDPSSPHK2TSHRTHRB
SCHEMBL39316 0.92 SMPD1 (0.42) SMPD1FDPSSPHK2TSHRTHRB
SCHEMBL5666423 0.80
SCHEMBL8979977 0.77 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL8979939 0.75 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL16618547 0.75 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL27995345 0.75 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL26369 0.75
SCHEMBL20177238 0.74 FDPS (0.41) SMPD1FDPSTSHRTHRBDNM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207879-A1 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS AND DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES INC (US) 2016-07-21 US disclosed
WO-2015050656-A2 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES, INC. (US) 2015-04-09 WO disclosed