SCHEMBL9066707

SCHEMBL9066707

O=C(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA9 Q16790 6/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA5A P35218 4/20 0.45
CA7 P43166 4/20 0.45
CA13 Q8N1Q1 3/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL9392446 0.80 MAOB (0.47) POLBMAPTRECQLSLC5A2
SCHEMBL29681573 0.79 SLC5A2 (0.41) POLBMAPTRECQLSLC5A2
SCHEMBL21391519 0.77 CA12 (0.48) CA12CA1CA9CA2CA4
SCHEMBL21391552 0.77 CA12 (0.48) CA12CA1CA9CA2CA4
SCHEMBL4392915 0.77 CA12 (0.48) CA12CA1CA9CA2CA4
SCHEMBL14094441 0.73 CA12 (0.60) CA12CA1CA9CA2CA4
SCHEMBL51450 0.69
SCHEMBL7199426 0.69 LGALS1 (0.48) CA12CA1CA9CA2CA4
SCHEMBL20161429 0.69 LGALS1 (0.48) CA12CA1CA9CA2CA4
SCHEMBL20161428 0.69 LGALS1 (0.48) CA12CA1CA9CA2CA4

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-0651734-B1 METHOD AND DEVICE FOR PRODUCING MONOCARBOXYLIC ACIDS FROM CARBOHYDRATES, CARBOHYDRATE DERIVATES OR PRIMARY ALCOHOLS SUEDZUCKER AG (DE) 1996-05-01 EP disclosed
EP-0651734-A1 METHOD AND DEVICE FOR PRODUCING MONOCARBOXYLIC ACIDS FROM CARBOHYDRATES, CARBOHYDRATE DERIVATES OR PRIMARY ALCOHOLS. SUEDZUCKER AG (DE) 1995-05-10 EP disclosed
WO-1994020448-A1 METHOD AND DEVICE FOR PRODUCING MONOCARBOXYLIC ACIDS FROM CARBOHYDRATES, CARBOHYDRATE DERIVATIVES OR PRIMARY ALCOHOLS Südzucker Aktiengesellschaft (DE) 1994-09-15 WO disclosed