SCHEMBL7799000

SCHEMBL7799000

O=C(O)c1ccc(C(=O)OCC(O)O)cc1.O=C(O)c1ccc(C(=O)OCCCC(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
SLC1A5 Q15758 1/20 0.39

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
SCHEMBL1648611 0.94 TDP1 (0.55) MAPTTDP1ALDH1A1LMNACYP1A2
SCHEMBL29233387 0.88 TDP1 (0.56) MAPTTDP1ALDH1A1LMNACYP1A2
SCHEMBL351318 0.87 MAPT (0.64) MAPTTDP1ALDH1A1TSHRSLC1A5
SCHEMBL1648609 0.87 TDP1 (0.57) MAPTTDP1ALDH1A1LMNACYP1A2
SCHEMBL29162948 0.85 MAPT (0.62) MAPTTDP1ALDH1A1TSHRSLC1A5
SCHEMBL2788019 0.84 MAPT (0.51) MAPTTDP1ALDH1A1LMNACYP1A2
SCHEMBL23532588 0.82 TDP1 (0.72) TDP1ALDH1A1LMNACYP1A2TSHR
Benzoic Acid SCHEMBL10978494 0.82 ALDH1A1 (0.68) MAPTTDP1ALDH1A1LMNATSHR
SCHEMBL10948819 0.81 MAPT (0.54) MAPTTDP1ALDH1A1LMNACYP1A2
Phosphonic Acid SCHEMBL11767971 0.81 MAPT (0.57) MAPTALDH1A1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747323-B1 Intercalates; exfoliates; process for manufacturing intercalates and exfoliates and composite materials containing same AMCOL INTERNATIONAL CORP (US) 2001-12-12 EP claimed
EP-0747323-A1 Intercalates; exfoliates; process for manufacturing intercalates and exfoliates and composite materials containing same AMCOL INTERNATIONAL CORPORATION (US) 1996-12-11 EP claimed