SCHEMBL9053470

SCHEMBL9053470

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)C(OP(=O)(O)OCC[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.52
ALDH1A1 P00352 1/20 0.51
S1PR1 P21453 1/20 0.48
DAGLA Q9Y4D2 1/20 0.46
SLC6A5 Q9Y345 1/20 0.45
P2RY10 O00398 4/20 0.45
GPR34 Q9UPC5 1/20 0.45
LPAR1 Q92633 1/20 0.45
SELP P16109 1/20 0.44

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
SCHEMBL479198 0.91 ALDH1A1 (0.60) ALDH1A1S1PR1DAGLA
SCHEMBL672371 0.91 ALDH1A1 (0.60) ALDH1A1S1PR1DAGLA
SCHEMBL479388 0.91 ALDH1A1 (0.60) ALDH1A1S1PR1DAGLA
SCHEMBL479222 0.91 ALDH1A1 (0.60) ALDH1A1S1PR1DAGLA
SCHEMBL37559 0.91 ALDH1A1 (0.60) ALDH1A1S1PR1DAGLA
SCHEMBL671456 0.91 ALDH1A1 (0.60) ALDH1A1S1PR1DAGLA
SCHEMBL9951988 0.89 S1PR1 (0.49) S1PR1DAGLAP2RY10GPR34LPAR1
SCHEMBL2340054 0.89 S1PR1 (0.49) S1PR1DAGLAP2RY10GPR34LPAR1
SCHEMBL17595343 0.89 S1PR1 (0.49) S1PR1DAGLAP2RY10GPR34LPAR1
SCHEMBL479610 0.88 ALDH1A1 (0.64) ALDH1A1S1PR1SELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020159441-A1 COMPOUNDS FOR USE AS PROTON CHANNELS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-08-06 WO disclosed
WO-1996038726-A1 COVALENTLY IMMOBILIZED PHOSPHOLIPID BILAYERS ON SOLID SURFACES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 1996-12-05 WO disclosed
EP-0440742-A1 LIPOSOME IMMUNOADJUVANTS CONTAINING IL-2. UNIV MINNESOTA (US) 1991-08-14 EP disclosed