SCHEMBL10337889

SCHEMBL10337889

CCC(O)(O)Oc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GAA P10253 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
JAK2 O60674 1/20 0.45
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.37
HSD11B1 P28845 1/20 0.36
HSD17B3 P37058 1/20 0.36
GLA P06280 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
SCHEMBL9744365 0.81 TP53 (0.45) TP53TSHRCA1CA2GAA
SCHEMBL16173839 0.80 TSHR (0.48) TP53TSHRCA1CA2GAA
SCHEMBL5819260 0.80 CA1 (0.52) TP53TSHRCA1CA2LMNA
SCHEMBL2917048 0.80 TSHR (0.48) TP53TSHRCA1CA2GAA
SCHEMBL21403433 0.76 PPARD (0.40) MAPTL3MBTL1
SCHEMBL148644 0.75 CNR1 (0.45) TP53TSHRCA1CA2GAA
1-Hydroxy-2-Ethoxybenzene SCHEMBL28519 0.74 GAA (0.64) TP53TSHRCA1CA2GAA
1-Hydroxy-2-Ethoxybenzene SCHEMBL28239475 0.74 GAA (0.64) TP53TSHRCA1CA2GAA
1-Hydroxy-2-Ethoxybenzene SCHEMBL29579232 0.74 GAA (0.64) TP53TSHRCA1CA2GAA
SCHEMBL1805490 0.74 CA2 (0.56) TP53TSHRCA1CA2GAA

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
JP-2001420-A None JP disclosed
JP-H021420-A ALKYL OR BENZYL PHENOL ETHER, ITS PREPARATION AND ITS THERAPEUTIC USE DELALANDE SA 1990-01-05 JP disclosed