SCHEMBL321084

SCHEMBL321084

CCCCC(Br)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
PPARD Q03181 8/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48

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
SCHEMBL28105796 0.92 FFAR4 (0.58) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL8011806 0.92 FFAR4 (0.58) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL6120289 0.92 FFAR4 (0.58) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL9361529 0.89 FFAR4 (0.60) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL18124085 0.88 FFAR4 (0.63) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL7365577 0.86 HDAC1 (0.48) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL11548263 0.86 TET2 (0.44) TSHRSLC22A6
SCHEMBL28828280 0.85 CA2 (0.51) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL6275213 0.85 AKR1B1 (0.67) AKR1B1PPARDGPR84PPARGPPARA
SCHEMBL23829588 0.83 FFAR4 (0.69) AKR1B1PPARDGPR84PPARGPPARA

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
CN-114206355-A Methods and compositions for treating cancer with cancer-targeting adjuvants 芝加哥大学 2022-03-18 CN disclosed
WO-2020068600-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. (US) 2020-04-02 WO disclosed
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
EP-0777656-B1 NOVEL DNA-TARGETED ALKYLATING AGENTS AUCKLAND DIVISION CANCER SOC O (NZ) 2004-04-14 EP disclosed
US-5968933-A ANTITUMOR AGENTS AND BINDING DNA FOR MUTAGENESIS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1999-10-19 US disclosed
EP-0777656-A4 NOVEL DNA-TARGETED ALKYLATING AGENTS CANCER SOC AUCKLAND DIV NZ INC (NZ) 1998-04-15 EP disclosed
EP-0777656-A1 NOVEL DNA-TARGETED ALKYLATING AGENTS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND (INCORPORATED) (NZ) 1997-06-11 EP disclosed
WO-1996006831-A1 NOVEL DNA-TARGETED ALKYLATING AGENTS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1996-03-07 WO disclosed