SCHEMBL38695

SCHEMBL38695

O=C(OC#Cc1ccccc1)c1ccccc1C(=O)OC#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
APP P05067 1/20 0.44
FFAR1 O14842 4/20 0.43
HNF4A P41235 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PAM P19021 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 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
SCHEMBL2746516 0.94 ALDH1A1 (0.52) NPC1RAB9AAPPFFAR1HNF4A
SCHEMBL8940636 0.91 NPC1 (0.57) NPC1RAB9AAPPFFAR1HNF4A
SCHEMBL28568009 0.89 HPGD (0.53) NPC1RAB9AFFAR1HNF4AALDH1A1
SCHEMBL2256472 0.83 LMNA (0.52) APPFFAR1NPSR1ALDH1A1TSHR
SCHEMBL1713040 0.83 LMNA (0.46) RAB9AAPPFFAR1NPSR1ALDH1A1
SCHEMBL23880583 0.79 APP (0.44) NPC1RAB9AAPPFFAR1HNF4A
SCHEMBL9364505 0.79 NPSR1 (0.46) NPC1RAB9AAPPFFAR1HNF4A
SCHEMBL1713010 0.79 TDP1 (0.45) RAB9AAPPFFAR1HNF4ANPSR1
SCHEMBL3137431 0.79 ALDH1A1 (0.55) NPC1RAB9AAPPFFAR1NPSR1
SCHEMBL2745851 0.79 TSHR (0.46) FFAR1TSHRLMNATDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012005648-A1 UNSATURATED OLIGIO OR POLYESTER PERSTORP AB (SE) 2012-01-12 WO claimed
CN-115197565-B Semi-crystalline polyamide composition based on short diamines with high glass transition temperature, process for its production and use thereof 阿科玛法国公司 2024-10-11 CN disclosed
EP-2717353-B1 COATING AGENT COMPOSITION FOR BATTERY ELECTRODES OR SEPARATORS NIPPON SYNTHETIC CHEM IND (JP) 2016-11-02 EP disclosed
US-20160141625-A1 COATING AGENT COMPOSITION FOR BATTERY ELECTRODES OR SEPARATOR KYORITSU CHEMICAL & CO., LTD. (JP) 2016-05-19 US disclosed
US-8178631-B2 Resin composition, varnish, resin film and semiconductor device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2012-05-15 US disclosed
WO-2012005648-A1 UNSATURATED OLIGIO OR POLYESTER PERSTORP AB (SE) 2012-01-12 WO disclosed
US-20090214860-A1 Resin Composition, Varnish, Resin Film and Semiconductor Device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2009-08-27 US disclosed
EP-1953181-A1 RESIN COMPOSITION, VARNISH, RESIN FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company, Ltd. (JP) 2008-08-06 EP disclosed
JP-2003213130-A POLYIMIDE RESIN COMPOSITION AND FIRE-RESISTANT ADHESIVE NIPPON STEEL CHEM CO LTD 2003-07-30 JP disclosed