SCHEMBL14574031

SCHEMBL14574031

CCOC(=O)CCC1(C)OC(=O)C(=C/C=C/C=C/Nc2ccccc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ APP P05067 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ELANE P08246 2/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TOP2A P11388 1/20 0.33

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
SCHEMBL14574032 0.92 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MAPK1RAB9A
SCHEMBL14574022 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPK1RAB9A
SCHEMBL14196985 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPK1RAB9A
SCHEMBL14574025 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPK1RAB9A
SCHEMBL14574020 0.77 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1RAB9AGAA
SCHEMBL14574027 0.73 RAB9A (0.41) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL14574021 0.73 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1RAB9AGAA
SCHEMBL12260834 0.72 ALDH1A1 (0.66) ALDH1A1KMT2AMAPK1RAB9AGAA
SCHEMBL14574026 0.72 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1RAB9AGAA
SCHEMBL12715247 0.71 ALDH1A1 (0.33) ALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183422-B2 Oxonol compound and process for producing the compound FUJI PHOTO FILM CO., LTD. (JP) 2007-02-27 — — US disclosed
US-7183422-B2 Oxonol compound and process for producing the compound FUJI PHOTO FILM CO., LTD. (JP) 2007-02-27 — — US disclosed
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