SCHEMBL14747176

SCHEMBL14747176

CC/C=C\CC=CCC=CC/C=C\C/C=C\CCCCNCCSSCCNC(=O)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ SLC6A5 Q9Y345 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ F7 P08709 3/20 0.51
▸ F3 P13726 3/20 0.51
▸ CYP19A1 P11511 3/20 0.51
▸ PTGS1 P23219 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ OXER1 Q8TDS5 2/20 0.51
▸ PPARG P37231 2/20 0.51
▸ PPARD Q03181 2/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ FFAR1 O14842 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PLA2G1B P04054 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51

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
SCHEMBL14740184 0.90 CNR1 (0.64) CNR1MAPTKMT2AMEN1SLC6A5
SCHEMBL14740182 0.90 CNR1 (0.64) CNR1MAPTKMT2AMEN1SLC6A5
SCHEMBL14740050 0.87 ALDH1A1 (0.62) CNR1MAPTKMT2AMEN1SLC6A5
SCHEMBL14740048 0.87 ALDH1A1 (0.62) CNR1MAPTKMT2AMEN1SLC6A5
SCHEMBL16325232 0.86 ALDH1A1 (0.47) CNR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14739321 0.85 CNR1 (0.64) CNR1MAPTKMT2AMEN1SLC6A5
SCHEMBL14739323 0.85 CNR1 (0.64) CNR1MAPTKMT2AMEN1SLC6A5
SCHEMBL12478623 0.83 CNR1 (0.73) CNR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14739222 0.83 ALDH1A1 (0.59) CNR1MAPTKMT2AMEN1SLC6A5
SCHEMBL14739223 0.83 ALDH1A1 (0.59) CNR1MAPTKMT2AMEN1SLC6A5

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
EP-2751071-A2 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE Milne, Jill C. (US) 2014-07-09 — — EP disclosed
WO-2013033602-A2 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE MILNE JILL C (US) 2013-03-07 — — WO disclosed
Send feedback