SCHEMBL9954558

SCHEMBL9954558

O=C(O)c1ccccc1CC(Cc1ccccc1C(=O)O)(Cc1ccccc1C(=O)O)Cc1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.57
ALDH1A1 P00352 6/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.52
HMGB1 P09429 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL11881450 0.85 FOLH1 (0.55) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL5048768 0.83 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL30281187 0.83 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL1349618 0.83 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL29280960 0.83 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL1598467 0.80 FOLH1 (0.50) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL28750589 0.80 FOLH1 (0.50) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL70392 0.79 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL30365583 0.79 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL69352 0.79 TSHR (0.68) FOLH1ALDH1A1ALOX15TSHRHMGB1

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-2654665-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA Pharma Gesellschaft für die Entwicklung und Vermarktung pharmazeutischer Produkte mbH (DE) 2013-10-30 EP disclosed
WO-2012083906-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA PHARMA GESELLSCHAFT FÜR DIE ENTWICKLUNG UND VERMARKTUNG PHARMAZEUTISCHER PRODUKTE MBH (DE) 2012-06-28 WO disclosed