SCHEMBL28245693

SCHEMBL28245693

CCOC(=O)C(CC(=O)Oc1ccccc1)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ELANE P08246 1/20 0.41
MMP8 P22894 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 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
SCHEMBL28245774 0.89 ALDH1A1 (0.43) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL1592207 0.88 ATM (0.41) TDP1KMT2AMAPTALDH1A1ELANE
SCHEMBL28245135 0.87 KMT2A (0.43) MEN1KMT2AMAPTALDH1A1ELANE
SCHEMBL7972963 0.86 ATM (0.41) TDP1KMT2AMAPTALDH1A1ELANE
SCHEMBL28083117 0.86 RECQL (0.44) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL11668465 0.84 CYP19A1 (0.41) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28245771 0.84 TSHR (0.46) NPC1ALDH1A1TSHRRECQLRAB9A
SCHEMBL28245043 0.84 TSHR (0.46) NPC1ALDH1A1TSHRRECQLRAB9A
SCHEMBL28245130 0.84 TSHR (0.46) NPC1ALDH1A1TSHRRECQLRAB9A
SCHEMBL28245044 0.84 TSHR (0.46) NPC1ALDH1A1TSHRRECQLRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed