SCHEMBL11090150

SCHEMBL11090150

CCOC(=O)Cc1cccc(Oc2ccccc2C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
TBXAS1 P24557 1/20 0.42
MAPK1 P28482 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
ITGA4 P13612 1/20 0.40
S1PR1 P21453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL11089521 0.88 CXCL8 (0.47) HPGDSMN1; SMN2TBXAS1MAPK1MEN1
SCHEMBL11095039 0.88 CXCL8 (0.47) HPGDSMN1; SMN2TBXAS1MAPK1KMT2A
SCHEMBL11089795 0.88 ALDH1A1 (0.43) HPGDSMN1; SMN2TBXAS1MAPK1MEN1
SCHEMBL11169261 0.86 HPGD (0.47) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11096559 0.86 HPGD (0.47) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21438038 0.86 ALDH1A1 (0.51) HPGDSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL11089616 0.85 ALDH1A1 (0.40) HPGDSMN1; SMN2TBXAS1MAPK1MEN1
SCHEMBL11090842 0.84 KMT2A (0.43) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11095644 0.82 ALDH1A1 (0.41) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11093624 0.82 CHRM1 (0.50) HPGDMEN1KMT2AMAPTALDH1A1

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
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed