SCHEMBL2200144

SCHEMBL2200144

C#Cc1c(OCC)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CXCR5 P32302 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39

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
SCHEMBL2119647 0.83 ALOX5 (0.47) ALOX5MAPK1LMNATDP1ALDH1A1
SCHEMBL10588542 0.83 ALOX5 (0.47) ALOX5MAPK1LMNATDP1ALDH1A1
SCHEMBL10629661 0.82 ALOX5 (0.46) ALOX5MAPK1LMNATDP1ALDH1A1
SCHEMBL12988355 0.81 MAPT (0.58) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL14072751 0.81 NPC1 (0.56) ALOX5MAPK1LMNATDP1ALDH1A1
SCHEMBL29864803 0.81 NPC1 (0.56) ALOX5MAPK1LMNATDP1ALDH1A1
SCHEMBL30142113 0.77 ALOX5 (0.65) ALOX5MAPK1LMNATDP1ALDH1A1
SCHEMBL2045141 0.77 ALOX5 (0.65) ALOX5MAPK1LMNATDP1ALDH1A1
SCHEMBL15177571 0.76 ALDH1A1 (0.47) LMNATDP1ALDH1A1KDM4EMAPT
SCHEMBL3147510 0.75 ALOX5 (0.51) ALOX5MAPK1LMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493454-B Quinolizine aza double aromatic ring axial chiral compound and its synthesis method 南京理工大学 2022-05-27 — — CN disclosed
CN-113493454-A Quinolizine aza double aromatic ring axial chiral compound and its synthesis method 南京理工大学 2021-10-12 — — CN disclosed
EP-1964861-B1 ACETYLENE-BASED POLYMER NAT INST OF ADVANCED IND SCIEN (JP) 2012-10-17 — — EP disclosed
US-7977441-B2 Acetylene-based polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-07-12 — — US disclosed
US-20090253872-A1 Acetylene-Based Polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-10-08 — — US disclosed
EP-1964861-A1 ACETYLENE POLYMER National Institute of Advanced Industrial Science and Technology (JP) 2008-09-03 — — EP disclosed
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