SCHEMBL1713099

SCHEMBL1713099

C#Cc1c(C)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
MYC P01106 1/20 0.50
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
PTGS2 P35354 2/20 0.45
AKR1C3 P42330 2/20 0.45
HIF1A Q16665 2/20 0.45
AKR1B10 O60218 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
DHFR P00374 1/20 0.45
MPO P05164 1/20 0.45

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
SCHEMBL31168897 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL1712400 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL16720840 0.84 MYC (0.56) ALDH1A1KDM4EHPGDHSD17B10MYC
Hydrochloric Acid SCHEMBL6349434 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL1352723 0.81 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL28583125 0.80 NR4A2 (0.46) ALDH1A1KDM4EHSD17B10MYCKMT2A
SCHEMBL16955373 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL5668193 0.80 HSD17B10 (0.48) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL5004422 0.80 PTPN22 (0.47) ALDH1A1KDM4EHPGDHSD17B10DHFR
SCHEMBL28846634 0.78 TSHR (0.59) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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
EP-2344568-B1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2017-12-20 EP claimed
US-8492507-B2 Acetylenic polyamide NEXAM CHEMICAL AB (SE) 2013-07-23 US claimed
US-20110190469-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2011-08-04 US claimed
EP-2344568-A1 ACETYLENIC POLYAMIDE Nexam Chemical AB (SE) 2011-07-20 EP claimed
WO-2010036170-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2010-04-01 WO claimed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-3907247-B1 GLASS TRANSITION HIGH-TEMPERATURE SEMI-CRYSTALLINE POLYAMIDE COMPOSITION MADE OF NEAR-FIELD DIAMINE FOR THERMOPLASTIC MATERIAL, METHOD FOR MANUFACTURING SAME AND USES THEREOF ARKEMA FRANCE (FR) 2023-08-16 EP disclosed
EP-4159792-A1 SEMI-CRYSTALLINE POLYAMIDE COMPOSITION WITH A HIGH GLASS TRANSITION TEMPERATURE BASED ON SHORT DIAMINE FOR THERMOPLASTIC MATERIAL, METHOD FOR MAKING SAME AND USES THEREOF ARKEMA FRANCE (FR) 2023-04-05 EP disclosed
EP-3601410-A1 SHORT DIAMINE-BASED SEMI-CRYSTALLINE POLYAMIDE COMPOSITION HAVING A HIGH GLASS TRANSITION TEMPERATURE FOR A THERMOPLASTIC MATERIAL, PRODUCTION METHOD THEREOF AND USES OF SAME Arkema France (FR) 2020-02-05 EP disclosed
EP-2344568-B1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2017-12-20 EP disclosed
US-8492507-B2 Acetylenic polyamide NEXAM CHEMICAL AB (SE) 2013-07-23 US disclosed
US-20110190469-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2011-08-04 US disclosed
EP-2344568-A1 ACETYLENIC POLYAMIDE Nexam Chemical AB (SE) 2011-07-20 EP disclosed
WO-2010036170-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2010-04-01 WO disclosed
WO-2010036175-A1 MOULDED ARTICLE OBTAINED FROM ACETYLENIC POLYAMIDE NEXAM CHEMICALS (SE) 2010-04-01 WO disclosed