SCHEMBL27365592

SCHEMBL27365592

CC(Cl)Oc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 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
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.38
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
SCHEMBL11238829 0.84 KMT2A (0.42) CA2TP53TSHRCA1LMNA
SCHEMBL10417879 0.82 CA2 (0.50) CA2TP53TSHRCA1LMNA
SCHEMBL8747528 0.82 CA2 (0.56) CA2TP53TSHRCA1LMNA
SCHEMBL29737595 0.82 TP53 (0.56) CA2TP53TSHRCA1LMNA
SCHEMBL104203 0.82 TP53 (0.56) CA2TP53TSHRCA1LMNA
SCHEMBL2352949 0.80 CA2 (0.54) CA2TP53TSHRCA1LMNA
SCHEMBL10878354 0.78 CA2 (0.58) CA2TP53TSHRCA1LMNA
SCHEMBL19973199 0.78 TSHR (0.52) CA2TP53TSHRCA1LMNA
SCHEMBL10932877 0.78 CA2 (0.52) CA2TP53TSHRCA1LMNA
SCHEMBL11771306 0.78 CA2 (0.52) CA2TP53TSHRCA1LMNA

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
CN-1055288-C Cation-sensitive composite structures and compounds for use therein MINNESOTA MINING & MFG (US) 2000-08-09 CN disclosed
CN-1106407-A Cation-sensitive composite structures and compounds for use therein MINNESOTA MINING & MFG (US) 1995-08-09 CN disclosed