SCHEMBL7140730

SCHEMBL7140730

CC(C)=CCOc1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.62
USP2 O75604 1/20 0.47
ALPL P05186 1/20 0.47
ALOX15 P16050 1/20 0.47
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.40
MTNR1A P48039 1/20 0.40
PTGES O14684 4/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL17311030 0.81 PTGDR2 (0.61) PTGDR2USP2ALPLALOX15MEN1
SCHEMBL2599760 0.80 ALDH1A1 (0.49) ALOX15TP53MDM2MEN1KMT2A
SCHEMBL671015 0.78 KMT2A (0.54) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL15253372 0.78 NPSR1 (0.47) ALOX15TP53MEN1HTTKMT2A
SCHEMBL13748304 0.77 PTGDR2 (0.64) PTGDR2USP2ALPLALOX15MEN1
SCHEMBL12478128 0.77 PTGDR2 (1.00) PTGDR2USP2ALPLALOX15MEN1
SCHEMBL27481998 0.76 PTGDR2 (0.51) PTGDR2USP2ALPLALOX15TP53
SCHEMBL3584577 0.76 PTGES (0.46) PTGDR2TRPA1MTNR1APTGESHPGD
SCHEMBL4448846 0.76 PTGDR2 (0.64) PTGDR2TP53MDM2MEN1KMT2A
SCHEMBL7140056 0.76 PTGDR2 (0.38) PTGDR2ALOX15TP53MDM2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907646-B1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-05-21 EP disclosed
US-6110960-A FOR TREATING ARTHRITIS AND AS ANALGESIC THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed