SCHEMBL8647197

SCHEMBL8647197

COc1ccc(C=C(C#N)C(=O)NCCCN(C)C)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ HPGD P15428 4/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ MCL1 Q07820 1/20 0.64
▸ CTDSP1 Q9GZU7 1/20 0.64
▸ APOBEC3A P31941 1/20 0.61
▸ APOBEC3G Q9HC16 1/20 0.61
▸ DNM1 Q05193 8/20 0.61
▸ EGFR P00533 6/20 0.61
▸ CYP1A2 P05177 2/20 0.58
▸ PKM P14618 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55

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
SCHEMBL6747879 0.88 DNM1 (0.76) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL9044050 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL8828533 0.80 LMNA (0.62) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL13486015 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL12288650 0.78 KDM4E (0.70) ALDH1A1KDM4EHPGDL3MBTL1APOBEC3A
SCHEMBL3198392 0.78 ESRRA (0.59) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL3198404 0.78 ESRRA (0.59) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL848237 0.76 DNM1 (1.00) ALDH1A1KDM4EHPGDPOLBDNM1
SCHEMBL848238 0.76 DNM1 (1.00) ALDH1A1KDM4EHPGDPOLBDNM1
SCHEMBL8604912 0.76 CYP1A2 (0.76) ALDH1A1KDM4EHPGDPOLBEGFR

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-5830441-A SUNSCREEN AGENTS ISP INVESTMENTS INC. (US) 1998-11-03 — — US disclosed
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