SCHEMBL8967703

SCHEMBL8967703

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
GBA2 Q9HCG7 1/20 0.39
CYP19A1 P11511 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
SCD O00767 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 3/20 0.35
ABCB1 P08183 3/20 0.34
CHRNB2 P17787 1/20 0.34

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 0.87 ALDH1A1 (0.39) MAPTALDH1A1LMNATP53HPGD
SCHEMBL8967592 0.85 TP53 (0.37) MAPTALDH1A1LMNATP53HPGD
SCHEMBL8967689 0.84 ALDH1A1 (0.55) MAPTALDH1A1LMNATP53HPGD
SCHEMBL8850030 0.83 TSHR (0.56) MAPTALDH1A1LMNATP53HPGD
SCHEMBL8966995 0.81 TP53 (0.40) MAPTALDH1A1LMNATP53HPGD
SCHEMBL12517337 0.80 ALDH1A1 (0.49) GBA1GBA2CYP19A1MAPTALDH1A1
SCHEMBL8967417 0.77 TSHR (0.40) MAPTALDH1A1TP53HPGDTSHR
SCHEMBL10350238 0.73 ALDH1A1 (0.60) MAPTALDH1A1LMNATP53HPGD
SCHEMBL12517400 0.73 ALDH1A1 (0.60) MAPTALDH1A1LMNATP53HPGD
SCHEMBL9479114 0.73 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2TDP1

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