SCHEMBL7963729

SCHEMBL7963729

O=c1oc2cccc(O)c2c(O)c1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 5/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP3A4 P08684 4/20 0.46
MAPK1 P28482 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE4D Q08499 1/20 0.46
PCSK7 Q16549 1/20 0.46
GPR35 Q9HC97 1/20 0.46
MAOA P21397 2/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 2/20 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
SCHEMBL7406498 0.80 NQO1 (0.68) NQO1MEN1KMT2ACYP3A4MAPK1
SCHEMBL31457155 0.78 MAOA (0.52) MEN1KMT2ACYP3A4MAPK1LMNA
SCHEMBL471846 0.78 MAOA (0.52) MEN1KMT2ACYP3A4MAPK1LMNA
SCHEMBL10795690 0.75 NQO1 (0.48) NQO1MEN1KMT2ACYP3A4MAPK1
SCHEMBL25370680 0.74 KDM4E (0.61) NQO1MEN1KMT2ACYP3A4MAPK1
Sulfuric Acid SCHEMBL4659424 0.72 MAOA (0.46) MEN1KMT2ACYP3A4MAPK1LMNA
SCHEMBL10791121 0.72 HSD17B3 (0.48) NQO1MEN1KMT2ACYP3A4MAPK1
SCHEMBL10794643 0.72 MAPT (0.52) NQO1MEN1KMT2ALMNAALDH1A1
SCHEMBL10851204 0.72 MAOA (0.49) MEN1KMT2ACYP3A4MAPK1LMNA
SCHEMBL10794491 0.72 MAOA (0.49) NQO1MEN1KMT2ACYP3A4MAPK1

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-6274565-B1 MEASUREMENT OF PEPTIDOGLYCAN USING INSECT BODY FLUID REAGENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2001-08-14 US disclosed
EP-0924220-A2 Inhibitor of the activation of beta-glucan recognition protein Wako Pure Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed