SCHEMBL20177414

SCHEMBL20177414

Cc1ccc(S(=O)(=O)OC(C)(C)CC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
CA4 P22748 1/20 0.40
GAA P10253 1/20 0.39
GBA1 P04062 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 2/20 0.37
VDR P11473 1/20 0.37
TSHR P16473 1/20 0.37
CA7 P43166 2/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL14720743 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CA2CA1
Phosphine SCHEMBL15019593 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL15963902 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL11164455 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL8394723 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL21157386 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL21157384 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL18900307 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL12461296 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL14944048 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10853712-B2 Authentication method of a two dimensional bar code AGFA NV (BE) 2020-12-01 US disclosed
US-10286707-B2 Laser markable compositions, materials and documents AGFA-GEVAERT (BE) 2019-05-14 US disclosed
US-20190138867-A1 AUTHENTICATION METHOD OF A TWO DIMENSIONAL BAR CODE AGFA NV (BE) 2019-05-09 US disclosed
US-20180141364-A1 LASER MARKABLE COMPOSITIONS, MATERIALS AND DOCUMENTS AGFA-GEVAERT (BE) 2018-05-24 US disclosed