SCHEMBL27933282

SCHEMBL27933282

[CH2]CC(O)C(N)(N)CCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.41
SMPD1 P17405 4/20 0.41
GGPS1 O95749 6/20 0.35
SPHK1 Q9NYA1 2/20 0.35
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL7106475 0.81 FDPS (0.42) FDPSSMPD1GGPS1SPHK1
SCHEMBL11613566 0.76 CES2 (0.41) FDPSGGPS1CES2LPAR1LPAR3
SCHEMBL27649671 0.74 FDPS (0.43) FDPSSMPD1GGPS1SPHK1
Ammonia Solution, Strong SCHEMBL28030706 0.72 FDPS (0.42) FDPSSMPD1GGPS1SPHK1
SCHEMBL25276792 0.72 SMPD1 (0.43) FDPSSMPD1GGPS1SPHK1
SCHEMBL25270758 0.72 SMPD1 (0.43) FDPSSMPD1GGPS1SPHK1
SCHEMBL11521706 0.72 SMPD1 (0.43) FDPSSMPD1GGPS1SPHK1
SCHEMBL2590619 0.71 CYP2D6 (0.44) FDPSSMPD1SPHK1
SCHEMBL7867569 0.71 CYP2D6 (0.44) FDPSSMPD1SPHK1
SCHEMBL7718828 0.70 OPRM1 (0.42) FDPSSMPD1GGPS1SPHK1

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
CN-103238019-B Method, apparatus and system for withdrawing thermal energy from a thermally conductive metal conduit BIOFILM IP, LLC (US) 2016-03-02 CN disclosed
CN-103238019-A Method, apparatus and system for withdrawing thermal energy from a thermally conductive metal conduit BIOFILM IP LLC 2013-08-07 CN disclosed