SCHEMBL7946049

SCHEMBL7946049

O=C(OCCC(O)O)c1cccc(C(=O)OCCC(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC7A5 Q01650 1/20 0.46
SERPINE1 P05121 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL7946054 0.93 TDP1 (0.51) TDP1LMNAALDH1A1SLC7A5SERPINE1
SCHEMBL29657345 0.91 TDP1 (0.41) TDP1LMNAALDH1A1SLC7A5SERPINE1
SCHEMBL25193430 0.89 TDP1 (0.55) TDP1LMNAALDH1A1SLC7A5SERPINE1
SCHEMBL3162957 0.87 TDP1 (0.66) TDP1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL2788014 0.84 MAPK1 (0.51) TDP1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL29020000 0.84 TDP1 (0.57) TDP1LMNAALDH1A1SLC7A5
SCHEMBL5371533 0.84 KMT2A (0.58) TDP1LMNAALDH1A1SLC7A5SERPINE1
SCHEMBL3096166 0.83 SLC7A5 (0.48) TDP1LMNAALDH1A1SLC7A5SERPINE1
SCHEMBL4762261 0.81 ALDH1A1 (0.58) TDP1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11558422 0.80 TDP1 (0.49) TDP1LMNAALDH1A1SLC7A5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379761-A1 Unsaturated polyesters and their preparation ARCO Chemical Technology, L.P. (US) 1990-08-01 EP claimed
US-4812553-A DIRECT ESTERIFICATION WITH UNSATURATED ANHYDRIDES OR DIACIDS ARCO CHEMICAL TECHNOLOGY, INC. (US) 1989-03-14 US claimed
WO-2001030879-A1 AROMATIC DIOL BASED URETHANEACRYLATES AND RESIN COMPOSITIONS CONTAINING THE SAME HAVING IMPROVED WATER AND/OR CHEMICAL RESISTANCE COOK COMPOSITES AND POLYMERS COMPANY (US) 2001-05-03 WO disclosed
EP-0379761-A1 Unsaturated polyesters and their preparation ARCO Chemical Technology, L.P. (US) 1990-08-01 EP disclosed
US-4812553-A DIRECT ESTERIFICATION WITH UNSATURATED ANHYDRIDES OR DIACIDS ARCO CHEMICAL TECHNOLOGY, INC. (US) 1989-03-14 US disclosed