SCHEMBL11041595

SCHEMBL11041595

CCCCCc1[nH]cc(C)c1CCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.34
GPR84 Q9NQS5 1/20 0.34
CYP19A1 P11511 1/20 0.33
PTGS2 P35354 3/20 0.32
CYP3A4 P08684 2/20 0.32
CCR5 P51681 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX5 P09917 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9287050 0.83 GPR84 (0.34) TYMPGPR84PTGS2CYP3A4KDM4E
SCHEMBL14341156 0.83 HTT (0.35) TYMPKDM4EHPGD
SCHEMBL1925551 0.82 TYR (0.37) TYMPGPR84CYP3A4ALOX5TP53
SCHEMBL28234439 0.82 GPR84 (0.37) TYMPGPR84PTGS2CYP3A4KDM4E
SCHEMBL18850562 0.81 TYMP (0.35) TYMPGPR84CYP19A1PTGS2CYP3A4
SCHEMBL27976370 0.80 TYR (0.40) TYMPGPR84CYP3A4ALOX5TP53
SCHEMBL11041473 0.80 HTR1A (0.35) TYMPGPR84CYP19A1PTGS2CYP3A4
SCHEMBL27976364 0.75 HTT (0.35) TYMPKDM4EHPGD
SCHEMBL8740890 0.74 HTT (0.38) TYMPKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9015218 0.73 MAPT (0.39) KDM4EALDH1A1GAAESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317286-B1 CYCLIZED SULFAMOYLARYLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-09-11 EP disclosed
EP-0034798-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-(SUBSTITUTED-THIO)PYRROLES AND THEIR CORRESPONDING SULFOXIDES AND SULFONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-22 EP disclosed
US-4495196-A Antiinflammatory 4,5-diaryl-α-polyfluoroalkyl-1H-pyrrole-2-methanols and method for use thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-22 US disclosed
EP-0038536-B1 ANTIINFLAMMATORY 4,5-DIARYL-ALPHA-(POLYFLUOROALKYL)-1H-PYRROLE-2-METHANAMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-01 EP disclosed
EP-0005156-B1 4,5-DIARYL-2-(SUBSTITUTED-THIO)-PYRROLES AND THEIR CORRESPONDING SULFOXIDES AND SULFONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-22 EP disclosed
US-4335136-A Anti-inflammatory 4,5-diaryl-α-(polyfluoroalkyl)-1H-pyrrole-2-methanamines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-15 US disclosed
EP-0038536-A1 Antiinflammatory 4,5-diaryl-alpha-(polyfluoroalkyl)-1H-pyrrole-2-methanamines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-10-28 EP disclosed
EP-0034798-A2 Antiinflammatory 4,5-diaryl-2-(substituted-thio)pyrroles and their corresponding sulfoxides and sulfones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-02 EP disclosed
US-4267190-A AND METHOD OF ADMINISTERING TO MAMMALS FOR TREATMENT OF ARTHRITIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-12 US disclosed
US-4267184-A USEFUL FOR TREATING ARTHRITIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-12 US disclosed
EP-0025884-A1 4,5-Diaryl-alpha-polyfluoroalkyl-1H-pyrrole-2-methanols and 1-(4,5-diaryl-1H-pyrrol-2-yl)-polyfluoroalkanones, processes for preparing them and pharmaceutical compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-04-01 EP disclosed
EP-0005156-A1 4,5-diaryl-2-(substituted-thio)-pyrroles and their corresponding sulfoxides and sulfones, process for their preparation and pharmaceutical compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-11-14 EP disclosed