SCHEMBL11061558

SCHEMBL11061558

CCOC(=O)C(=O)Nc1ccc(I)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.71
▸ CYP19A1 P11511 6/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ GAA P10253 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ KYAT1 Q16773 1/20 0.50

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
SCHEMBL11408843 0.91 MAPT (0.83) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL11608031 0.86 MAPT (0.75) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL10557875 0.86 MAPT (0.75) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL626949 0.84 MAPT (0.73) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL10987231 0.83 MAPT (0.71) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL11061083 0.83 MAPT (1.00) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL1503906 0.83 ALDH1A1 (0.71) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL9977891 0.83 MAPT (0.71) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL8162593 0.83 MAPT (0.71) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL11510257 0.83 MAPT (0.71) MAPTCYP19A1ALDH1A1HPGDPOLB

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-4483707-A PLANT SAFTENING AGENTS CIBA-GEIGY CORPORATION (US) 1984-11-20 — — US disclosed
Send feedback