SCHEMBL8967047

SCHEMBL8967047

C#CCOCC(COc1ccc(-c2ccc(OCC(COCC#C)OCC3CO3)cc2)cc1)OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
ACHE P22303 1/20 0.35
GSTP1 P09211 1/20 0.34
KDM1A O60341 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8967592 0.90 TP53 (0.37) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL8850030 0.88 TSHR (0.56) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL8967689 0.87 ALDH1A1 (0.55) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL8967703 0.87 GBA1 (0.39) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL8966995 0.86 TP53 (0.40) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL8967417 0.81 TSHR (0.40) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL9479114 0.77 TSHR (0.46) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL8967693 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL8967775 0.73 ALDH1A1 (0.42) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL6858467 0.72 TSHR (0.62) ALDH1A1TP53TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458296-B1 Modified epoxy resins having acetylenically unsaturated functions NIPPON PAINT CO LTD (JP) 1996-03-06 EP disclosed
US-5242996-A MODIFIED EPOXY RESINS HAVING ACETYLENICALLY UNSATURATED FUNCTIONS NIPPON PAINT CO., LTD. (JP) 1993-09-07 US disclosed
EP-0458296-A2 Modified epoxy resins having acetylenically unsaturated functions NIPPON PAINT CO., LTD. (JP) 1991-11-27 EP disclosed