SCHEMBL8967417

SCHEMBL8967417

C#CCOCC(COc1ccc(C(C)(C)c2ccc(OCC(COCC#C)OCC3CO3)cc2C)c(C)c1)OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
PPARD Q03181 1/20 0.30

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
SCHEMBL8850030 0.86 TSHR (0.56) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL8967047 0.81 ALDH1A1 (0.39) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL8967592 0.79 TP53 (0.37) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL8966995 0.78 TP53 (0.40) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL8967703 0.77 GBA1 (0.39) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL8967689 0.77 ALDH1A1 (0.55) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL8967775 0.76 ALDH1A1 (0.42) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL6858467 0.72 TSHR (0.62) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL12988564 0.72 ALDH1A1 (0.61) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL12988562 0.72 ALDH1A1 (0.61) TSHRTP53ALDH1A1MAPTHPGD

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