SCHEMBL15717819

SCHEMBL15717819

CCCCc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(-c4nc5cc(Cl)c(Cl)cc5[nH]4)cc3)cc2O)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 14/20 0.74
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ MPL P40238 2/20 0.52
▸ NR2E3 Q9Y5X4 1/20 0.52
▸ RHEB Q15382 1/20 0.48
▸ F2 P00734 1/20 0.48
▸ F10 P00742 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ CHEK2 O96017 1/20 0.48

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
SCHEMBL2714153 0.87 PRSS12 (0.75) PRSS12NR2E3RHEBF2F10
SCHEMBL15716913 0.79 PRSS12 (0.63) PRSS12NR2E3F2F10PLG
SCHEMBL1248994 0.76 DGAT1 (0.73) PRSS12HDAC3HDAC1HDAC2HDAC8
SCHEMBL10244014 0.76 PRSS12 (0.68) PRSS12NR2E3RHEBF2F10
SCHEMBL10243990 0.73 PRSS12 (0.72) PRSS12
SCHEMBL6265376 0.71 HPSE (0.82) PRSS12RHEB
SCHEMBL18229675 0.71 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15717512 0.71 PRSS12 (1.00) PRSS12F2F10PLGPLAT
SCHEMBL6483677 0.70 PRSS12 (0.66) PRSS12NR2E3CHEK2
SCHEMBL31748761 0.70 PRSS12 (0.66) PRSS12NR2E3CHEK2

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
US-20160274126-A1 BIOMARKERS FOR THE DIAGNOSIS OF INTERSTITIAL CYSTITIS WILLIAM BEAUMONT HOSPITAL 2016-09-22 — — US disclosed
WO-2014078232-A1 BIOMARKERS FOR THE DIAGNOSIS OF INTERSTITIAL CYSTITIS WILLIAM BEAUMONT HOSPITAL (US) 2014-05-22 — — WO disclosed
Send feedback