Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247380

SCHEMBL2247380

SCHEMBL2247380

CCCCCCCCCCCCOc1cc(C(=O)N(C(=O)c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)N(C(=O)c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)C(=O)c2ccc3nc4c5nc6cc(C(=O)NN)ccc6nc5c5nc6cc(C(=O)NN)ccc6nc5c4nc3c2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 6/20 0.44
▸ CNR2 P34972 3/20 0.38
▸ THRA P10827 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL6111802 0.87 SMPD1 (0.41) SMPD1THRATHRBALDH1A1LMNA
SCHEMBL2247374 0.85 SMPD1 (0.43) SMPD1CNR2
SCHEMBL12355811 0.85 SMPD1 (0.50) SMPD1CNR2
SCHEMBL2246031 0.85 SMPD1 (0.50) SMPD1CNR2
SCHEMBL2252367 0.85 SMPD1 (0.50) SMPD1CNR2
SCHEMBL969363 0.77 SMPD1 (0.53) SMPD1LMNA
SCHEMBL6111633 0.77 SMPD1 (0.53) SMPD1LMNA
SCHEMBL969081 0.77 SMPD1 (0.53) SMPD1LMNA
SCHEMBL28949956 0.77 SMPD1 (0.53) SMPD1LMNA
SCHEMBL28599541 0.76 SMPD1 (0.51) SMPD1

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
US-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 — — US disclosed