SCHEMBL11698485

SCHEMBL11698485

CCCCC(CC)COCCCNc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 2/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
CA12 O43570 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL15603985 0.80 MAPT (0.48) ALDH1A1KDM4EGAAMAPTCYP3A4
SCHEMBL31427597 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL8379148 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL15603975 0.79 MMP14 (0.46) ALDH1A1KDM4EMAPTCYP3A4MMP9
SCHEMBL11697335 0.79 PPARG (0.46) ALDH1A1TSHRHSD17B10CYP3A4MMP9
SCHEMBL6543648 0.78 UTS2R (0.38) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL731902 0.77 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL30301306 0.77 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL13093387 0.76 MMP9 (0.56) ALDH1A1KDM4EHSD17B10CYP3A4MMP9
SCHEMBL31053629 0.76 MMP9 (0.56) ALDH1A1KDM4EHSD17B10CYP3A4MMP9

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-4000985-A DISAZO MORTON-NORWICH PRODUCTS, INC. (US) 1977-01-04 US disclosed