SCHEMBL6296989

SCHEMBL6296989

CC(C)CCc1ccc(S(=O)(=O)c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
PKM P14618 2/20 0.70
LMNA P02545 2/20 0.70
GAA P10253 1/20 0.70
KMT2A Q03164 4/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
RORC P51449 1/20 0.41
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL14517852 0.89 ALDH1A1 (0.54) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL6302231 0.86 ALDH1A1 (0.76) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL313096 0.84 ALDH1A1 (1.00) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL9634934 0.83 ALDH1A1 (0.80) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL6297158 0.82 ALDH1A1 (0.78) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL6302139 0.82 ALDH1A1 (0.78) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL6302381 0.80 ALDH1A1 (0.85) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL6296972 0.80 ALDH1A1 (0.85) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL6302232 0.80 PKM (1.00) ALDH1A1PKMLMNAGAAKMT2A
SCHEMBL11432889 0.79 ALDH1A1 (0.51) ALDH1A1PKMLMNAGAAKMT2A

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
US-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 US disclosed
US-5091359-A Chromogen, color developer, and novolak type epoxy resin KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-02-25 US disclosed
EP-0382523-A2 Heat-sensitive record material NEW OJI PAPER CO., LTD. (JP) 1990-08-16 EP disclosed