SCHEMBL28044223

SCHEMBL28044223

[CH2]C(N)(CC)CCCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.43
FDPS P14324 2/20 0.43
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
DNM1 Q05193 8/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.38
GGPS1 O95749 1/20 0.37

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
SCHEMBL28251674 1.00 SMPD1 (0.43) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL10785601 0.90 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL11750590 0.90
SCHEMBL27572290 0.79 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL28232580 0.79 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL444804 0.78 FDPS (0.42) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL3547802 0.78
SCHEMBL8924846 0.77 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL19611897 0.77 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL28044126 0.77 SMPD1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143301-A Modified epoxy resins DOW GLOBAL TECHNOLOGIES LLC 2015-12-09 CN disclosed