SCHEMBL11277525

SCHEMBL11277525

CCC(OP(O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
POLB P06746 2/20 0.40
HKDC1 Q2TB90 1/20 0.38
TRPA1 O75762 1/20 0.38
AOC3 Q16853 1/20 0.37
GSR P00390 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
KLK7 P49862 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALKBH1 Q13686 1/20 0.35
MIF P14174 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11586647 0.83 LMNA (0.45) LMNAPOLBHKDC1TRPA1AOC3
SCHEMBL1032667 0.82 GSR (0.50) LMNATRPA1GSRSLC6A4SMN1; SMN2
SCHEMBL11880593 0.79 CSNK1E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6743782 0.79 CSNK1E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL7107597 0.79 CSNK1E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL29036388 0.79 CSNK1E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6462221 0.79 CSNK1E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL4443871 0.79 CSNK1E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6561015 0.79 CSNK1E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL1031763 0.78 TRPA1 (0.42) LMNATRPA1GSRMEN1KMT2A

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-0013382-B1 PROCESS FOR THE PREPARATION OF M-AMINO-PHENOLS BASF Aktiengesellschaft (DE) 1982-12-15 EP disclosed
EP-0013382-A1 Process for the preparation of m-amino-phenols BASF Aktiengesellschaft (DE) 1980-07-23 EP disclosed
US-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed