SCHEMBL14574022

SCHEMBL14574022

CCC(=O)OCCC1(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
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 3/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ APP P05067 1/20 0.31
▸ GAA P10253 3/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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 0.88 ALDH1A1 (0.37) ALDH1A1RAB9AKMT2AMEN1MAPK1
SCHEMBL14574031 0.86 ALDH1A1 (0.38) ALDH1A1RAB9AKMT2AMEN1MAPK1
SCHEMBL14196985 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9AKMT2AMEN1
SCHEMBL14574025 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9AKMT2AMEN1
SCHEMBL14574020 0.77 ALDH1A1 (0.62) ALDH1A1RAB9AKMT2AMAPK1APP
SCHEMBL14574027 0.73 RAB9A (0.41) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL14574021 0.73 ALDH1A1 (0.44) ALDH1A1RAB9AKMT2AMAPK1POLB
SCHEMBL12260834 0.72 ALDH1A1 (0.66) ALDH1A1RAB9AKMT2AMAPK1APP
SCHEMBL14574026 0.72 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2AMAPK1APP
SCHEMBL14574023 0.69 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9AKMT2AMEN1

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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