SCHEMBL19973199

SCHEMBL19973199

C[C@@H](N)Oc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CA2 P00918 3/20 0.52
TP53 P04637 2/20 0.52
CA1 P00915 2/20 0.52
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
JAK2 O60674 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALOX15 P16050 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CA12 O43570 2/20 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
SCHEMBL8747528 0.82 CA2 (0.56) TSHRCA2TP53CA1LMNA
SCHEMBL29737595 0.82 TP53 (0.56) TSHRCA2TP53CA1LMNA
SCHEMBL104203 0.82 TP53 (0.56) TSHRCA2TP53CA1LMNA
SCHEMBL2352949 0.80 CA2 (0.54) TSHRCA2TP53CA1LMNA
SCHEMBL27365592 0.78 CA2 (0.52) TSHRCA2TP53CA1LMNA
SCHEMBL11771306 0.78 CA2 (0.52) TSHRCA2TP53CA1LMNA
SCHEMBL10932877 0.78 CA2 (0.52) TSHRCA2TP53CA1LMNA
SCHEMBL10878354 0.78 CA2 (0.58) TSHRCA2TP53CA1LMNA
SCHEMBL2021874 0.78 TSHR (0.47) TSHRCA2TP53CA1LMNA
SCHEMBL10417879 0.77 CA2 (0.50) TSHRCA2TP53CA1LMNA

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
WO-2018053177-A1 COMPOSITION FOR LIGHTENING OR DYEING KERATIN FIBERS WITH A LOW AMOUNT OF OXIDIZING AGENT NOXELL CORPORATION (US) 2018-03-22 WO disclosed
WO-2018053195-A1 COMPOSITION FOR LIGHTENING OR DYEING KERATIN FIBERS WITH A LOW AMOUNT OF ALKALIZING AGENT NOXELL CORPORATION (US) 2018-03-22 WO disclosed