SCHEMBL4642203

SCHEMBL4642203

CCC[CH]C(=O)Oc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
VCAM1 P19320 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
ESRRA P11474 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL4646549 0.90 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL4642435 0.84 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL4644191 0.81 ALDH3A1 (0.48) ALDH1A1HPGDVCAM1KMT2AMEN1
SCHEMBL17055861 0.80 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL4641784 0.79 ALDH1A1 (0.60) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL11790540 0.79 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL4645128 0.79 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL4641775 0.78 ALDH1A1 (0.58) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL17512389 0.78 GAA (0.64) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL18664366 0.78 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1VCAM1KMT2A

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed