SCHEMBL9190829

SCHEMBL9190829

CCCCCCCCCCCCCc1cc[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48
ADRB3 P13945 1/20 0.48
HTR2C P28335 1/20 0.48
HSPE1 P61604 1/20 0.48
HIF1A Q16665 1/20 0.48
TST Q16762 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
SCHEMBL27839562 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL27839490 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL27820016 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL27820336 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL150002 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL147400 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL152937 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL981785 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL982395 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL28006340 1.00 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170405-A1 PROCESSES FOR PREPARING CURED FILMS, THE RESULTING FILMS, AND PLASMA-INITIATED POLYMERIZABLE COMPOSITIONS FUJIFILM CORPORATION (JP) 2014-06-19 US disclosed
EP-0434070-B1 Pyrrolealdehyde derivative MITSUBISHI CHEM CORP (JP) 1995-08-09 EP disclosed
US-5153217-A Antiiipemic, anticholesterol agents MITSUBISHI KASEI CORPORATION (JP) 1992-10-06 US disclosed
EP-0434070-A2 Pyrrolealdehyde derivative Mitsubishi Chemical Corporation (JP) 1991-06-26 EP disclosed