SCHEMBL27964247

SCHEMBL27964247

Nc1cc(N)c(Oc2cc(C(=O)O)ccc2C(=O)O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ TTR P02766 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ GAA P10253 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA6 P23280 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PTGS2 P35354 2/20 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
SCHEMBL29038528 0.74 HTT (0.59) HTTTTRALDH1A1KDM4EMAPT
SCHEMBL3072190 0.74 POLB (0.46) HTTTTRALDH1A1KDM4EGAA
Terephthalic Acid SCHEMBL6674666 0.73 TSHR (0.55) ALDH1A1KDM4EGAAMAPTCA12
SCHEMBL3346751 0.73 HTT (0.53) HTTTTRALDH1A1KDM4EGAA
SCHEMBL11322194 0.73 TTR (0.54) TTRALDH1A1KDM4ECA12CA1
SCHEMBL30497476 0.73 TTR (0.54) TTRALDH1A1KDM4ECA12CA1
SCHEMBL9807221 0.72 TTR (0.53) HTTTTRALDH1A1ESR2CA12
SCHEMBL6675054 0.71 PARP10 (0.47) TTRALDH1A1ESR2POLBL3MBTL1
SCHEMBL649980 0.71 TTR (0.66) TTRKDM4EPOLBL3MBTL1
SCHEMBL30462993 0.71 TTR (0.49) HTTTTRALDH1A1KDM4EGAA

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-109354684-B Process for synthesizing poly (p-phenylene benzobisoxazole) 长江师范学院 2021-01-05 — — CN disclosed
CN-109354684-A A kind of new process of the double oxazoles of synthesis polyparaphenylene's benzo 长江师范学院 2019-02-19 — — CN disclosed
CN-104072771-B The preparation method of PBO 四川宝利丰科技有限公司 2016-07-06 — — CN disclosed
CN-104072771-A Preparation method of PBO SICHUAN POLYMER SCIENCE AND TECHNOLOGY CO LTD 2014-10-01 — — CN disclosed
CN-103709404-A PBO (poly(p-phenylene-2,6-benzobisoxazole)) copolycondensation modification method CHONGQING INST GREEN & INTELLIGENT TECHNOLOGY CAS 2014-04-09 — — CN disclosed
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