SCHEMBL11054236

SCHEMBL11054236

O=C(O)c1ccccc1CCO.[Al]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.66
PTPN1 P18031 2/20 0.57
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.50
KDM4E B2RXH2 2/20 0.46
HMGB1 P09429 2/20 0.46
DHODH Q02127 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HPGD P15428 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TP53 P04637 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
SCHEMBL77642 0.98 FOLH1 (0.68) FOLH1PTPN1ALDH1A1ALOX15TSHR
SCHEMBL30365583 0.87 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRKDM4E
SCHEMBL70392 0.87 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRKDM4E
SCHEMBL10971042 0.86 FOLH1 (0.55) FOLH1PTPN1ALDH1A1ALOX15KDM4E
SCHEMBL5806456 0.86 FOLH1 (0.63) FOLH1PTPN1ALDH1A1ALOX15TSHR
SCHEMBL4907779 0.84 FOLH1 (0.61) FOLH1PTPN1ALDH1A1ALOX15TSHR
SCHEMBL729909 0.83 FOLH1 (0.70) FOLH1ALDH1A1ALOX15TSHRKDM4E
Ethylene SCHEMBL18893737 0.83 FOLH1 (0.70) FOLH1ALDH1A1ALOX15TSHRKDM4E
SCHEMBL7618622 0.83 FOLH1 (0.48) FOLH1PTPN1ALDH1A1ALOX15TSHR
SCHEMBL31474045 0.83 FOLH1 (0.70) FOLH1ALDH1A1ALOX15TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4434178-A ORGANOALUMINUM CHLORIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. (US) 1984-02-28 US disclosed