SCHEMBL9513655

SCHEMBL9513655

C/C(=C\c1ccc(OCc2ccccc2)c(F)c1)[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
S1PR4 O95977 1/20 0.54
HPGD P15428 1/20 0.54
S1PR1 P21453 1/20 0.54
GPR35 Q9HC97 1/20 0.54
FBP1 P09467 1/20 0.50
EGFR P00533 2/20 0.46
ABL1 P00519 1/20 0.46
ABL2 P42684 1/20 0.46
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
ERN1 O75460 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL9513661 1.00 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL18331459 0.91 MAPT (0.54) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL30401418 0.89 MAPT (0.64) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL6802414 0.86 MAPT (0.72) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL10975054 0.86 SMN1; SMN2 (0.63) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3064358 0.86 MAPT (0.66) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL6802411 0.86 MAPT (0.72) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL10975057 0.86 SMN1; SMN2 (0.63) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3064354 0.86 MAPT (0.66) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL2747523 0.80 FBP1 (0.62) ALDH1A1MAPTLMNASMN1; SMN2NPSR1

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
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed