SCHEMBL7684247

SCHEMBL7684247

C=C(C(=O)OC)c1ccccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.39
TSHR P16473 4/20 0.37
CTSD P07339 1/20 0.37
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
RCE1 Q9Y256 1/20 0.35
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL27799176 0.87 ALDH1A1 (0.45) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL5694901 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL27761127 0.85 HPGD (0.46) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL27587079 0.83 ALDH1A1 (0.41) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL28139529 0.83 ALDH1A1 (0.41) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL7487933 0.83 ALDH1A1 (0.46) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL30463198 0.83 ALDH1A1 (0.46) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL27782862 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL27761126 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHPGDTSHRCTSD
SCHEMBL28164002 0.81 ALDH1A1 (0.45) ALDH1A1LMNAHPGDTSHRCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674079-A Synthesis method of panobinostat 南京卡文迪许生物工程技术有限公司 2017-05-17 CN claimed
EP-0348766-B1 ALPHA-ARYLACRYLIC-ACID ESTERS AND FUNGICIDES CONTAINING SAME BASF Aktiengesellschaft (DE) 1991-04-17 EP claimed
CN-110551067-B Multi-target tacrine derivative and preparation method and application thereof 山东大学 2020-09-08 CN disclosed
CN-110551067-A Multi-target tacrine derivative and preparation method and application thereof UNIV SHANDONG 2019-12-10 CN disclosed
CN-109627211-A The method that one kettle way prepares ZEN 90160 合肥利夫生物科技有限公司 2019-04-16 CN disclosed
CN-107011238-A Class I histone deacetylase inhibitor and its production and use 北京化工大学 2017-08-04 CN disclosed
CN-106674079-A Synthesis method of panobinostat 南京卡文迪许生物工程技术有限公司 2017-05-17 CN disclosed
US-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
US-6355634-B1 OXIME DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-0893434-A1 Intermediates for the preparation of oximethers Novartis AG (CH) 1999-01-27 EP disclosed
EP-0703215-A1 Aromatic compounds CIBA-GEIGY AG (CH) 1996-03-27 EP disclosed
EP-0460575-A1 Aromatic compounds CIBA-GEIGY AG (CH) 1991-12-11 EP disclosed
US-5041618-A α-arylacrylates and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0348766-B1 ALPHA-ARYLACRYLIC-ACID ESTERS AND FUNGICIDES CONTAINING SAME BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed
EP-0348766-A2 Alpha-arylacrylic-acid esters and fungicides containing same BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed