SCHEMBL9854620

SCHEMBL9854620

COC(=O)c1ccc(C(=O)CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAPT P10636 6/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
AGTR1 P30556 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
POLB P06746 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CASP3 P42574 1/20 0.52

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
SCHEMBL11391147 0.89 CA1 (0.64) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL11021070 0.86 TSHR (0.76) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29249309 0.84 KMT2A (0.62) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12311121 0.84 KMT2A (0.63) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL333688 0.83 CA1 (0.57) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3042554 0.83 CA1 (0.57) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17295082 0.83 CA1 (0.57) TSHRMAPTRAB9ANPC1SMN1; SMN2
Benzene SCHEMBL28351738 0.82 TSHR (0.85) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28993944 0.82 CA1 (0.80) TSHRMAPTRAB9ANPC1CA1
SCHEMBL23600 0.82 CA1 (0.80) TSHRMAPTRAB9ANPC1CA1

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
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed