SCHEMBL28803752

SCHEMBL28803752

O=C1C=C(O)C(=O)C(Br)=C1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.48
ALOX5 P09917 11/20 0.40
MPEG1 Q2M385 7/20 0.40
GPR84 Q9NQS5 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
PTGES O14684 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KAT2B Q92831 1/20 0.40

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
SCHEMBL9220665 0.76 XIAP (0.54) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL29098299 0.74 XIAP (0.52) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL5154804 0.70 XIAP (0.54) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL29140682 0.70 XIAP (0.48) XIAPALOX5MPEG1GPR84KDM4E
Tetroquinone SCHEMBL28777993 0.69 KDM4E (0.60) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL30595489 0.68 XIAP (0.47) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL6253128 0.68 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5158181 0.65 XIAP (0.48) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL9175113 0.65 XIAP (1.00) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL5667019 0.65 KDM4E (0.46) XIAPALOX5MPEG1GPR84KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114672020-B Preparation method of benzoxazinyl conjugated trapezoid polymer and application of benzoxazinyl conjugated trapezoid polymer in hydrogen sulfide detection 天津科技大学 2023-10-20 CN claimed
CN-114672020-A Preparation method of benzoxazine-based conjugated trapezoidal polymer and application of benzoxazine-based conjugated trapezoidal polymer in hydrogen sulfide detection 天津科技大学 2022-06-28 CN claimed
CN-114672020-B Preparation method of benzoxazinyl conjugated trapezoid polymer and application of benzoxazinyl conjugated trapezoid polymer in hydrogen sulfide detection 天津科技大学 2023-10-20 CN disclosed
CN-114672020-A Preparation method of benzoxazine-based conjugated trapezoidal polymer and application of benzoxazine-based conjugated trapezoidal polymer in hydrogen sulfide detection 天津科技大学 2022-06-28 CN disclosed
CN-103137866-A Transistor, method of manufacturing transistor, display unit, and electronic apparatus SONY CORP 2013-06-05 CN disclosed