SCHEMBL8660091

SCHEMBL8660091

CC(=O)Nc1ccc(OC(C)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
CYP1A2 P05177 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.54
TSHR P16473 2/20 0.54
CYP2C19 P33261 2/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
OPRK1 P41145 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53

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
SCHEMBL6783366 0.87 GLA (0.71) MEN1KMT2ACYP1A2TDP1LMNA
SCHEMBL11755123 0.84 MEN1 (0.59) MEN1KMT2ACYP1A2TDP1LMNA
SCHEMBL27656456 0.84 MEN1 (0.59) MEN1KMT2ACYP1A2TDP1LMNA
SCHEMBL6260323 0.83 KMT2A (0.54) MEN1KMT2ACYP1A2TDP1LMNA
SCHEMBL11162349 0.83 TSHR (0.56) MEN1KMT2ACYP1A2LMNAGLA
SCHEMBL6391225 0.82 MEN1 (0.58) MEN1KMT2ACYP1A2TDP1LMNA
SCHEMBL5952262 0.81 MEN1 (0.61) MEN1KMT2ACYP1A2TDP1LMNA
SCHEMBL831222 0.81 KMT2A (0.56) MEN1KMT2ACYP1A2TDP1LMNA
SCHEMBL9794604 0.81 MEN1 (0.56) MEN1KMT2ACYP1A2TDP1LMNA
Cloracetadol SCHEMBL29388585 0.80 MEN1 (0.54) MEN1KMT2ACYP1A2TDP1LMNA

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
US-5854250-A N-benzoylamino acid derivatives, pharmaceutical compositions containing them and process of preparing same GYOGYSZERKUTATO INTEZET KFT (HU) 1998-12-29 US disclosed
US-5705529-A ANTIISCHEMIC AGENTS, ANTIINFLAMMATORY AGENTS, AGING RESISTANCE, ATHERIOSCLEROSIS, NERVOUS SYSTEM DISORDERS GYOGYSZERKUTATO INTEZET KFT (HK) 1998-01-06 US disclosed