SCHEMBL8967592

SCHEMBL8967592

C#CCOCC(COc1ccc(Cc2ccc(OCC(COCC#C)OCC3CO3)cc2)cc1)OCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
PKM P14618 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PLA2G2A P14555 6/20 0.33
MGLL Q99685 2/20 0.33
PLA2G10 O15496 2/20 0.33
PLA2G1B P04054 2/20 0.33
PLA2G5 P39877 2/20 0.33
SLC5A2 P31639 2/20 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
SCHEMBL8967047 0.90 ALDH1A1 (0.39) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL8850030 0.86 TSHR (0.56) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL8967703 0.85 GBA1 (0.39) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL8967689 0.85 ALDH1A1 (0.55) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL8966995 0.84 TP53 (0.40) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL6856784 0.82 PLA2G2A (0.49) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL8967417 0.79 TSHR (0.40) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL9479114 0.75 TSHR (0.46) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL8967693 0.74 ALDH1A1 (0.45) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL194635 0.74 ALDH1A1 (0.44) TP53TSHRALDH1A1MAPTHPGD

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