SCHEMBL5814604

SCHEMBL5814604

[CH2]CN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.67
HEXA P06865 6/20 0.62
HEXB P07686 6/20 0.62
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP1A2 P05177 1/20 0.61
AKR1B1 P15121 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
OGA O60502 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
ERCC1 P07992 1/20 0.57
FEN1 P39748 1/20 0.57

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
SCHEMBL27407486 0.85 HEXA (0.69) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL10262751 0.83 CYP1B1 (0.71) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL121199 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13207607 0.80 HEXA (0.73) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL9626265 0.80 HEXA (0.83) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL10795642 0.80 CYP1B1 (0.67) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL9327700 0.80 CYP1B1 (0.67) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL117049 0.80 CYP1B1 (1.00) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL11678307 0.80 HEXA (0.73) CYP1B1HEXAHEXBALDH1A1KDM4E
SCHEMBL2539263 0.79 ALDH1A1 (0.63) CYP1B1HEXAHEXBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032816-B Water-repellent composition 大金工业株式会社 2023-02-28 CN disclosed
CN-115335451-A Non-fluorine copolymer composition and oil proofing agent for paper 大金工业株式会社 2022-11-11 CN disclosed
CN-113412323-A Water-repellent composition 大金工业株式会社 2021-09-17 CN disclosed
CN-112513370-A Oil proofing agent for paper 大金工业株式会社 2021-03-16 CN disclosed
CN-111742031-A Surface treating agent 大金工业株式会社 2020-10-02 CN disclosed
CN-111032816-A Water-repellent composition 大金工业株式会社 2020-04-17 CN disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed