SCHEMBL27481998

SCHEMBL27481998

CC(C)=COc1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.51
ALOX15 P16050 2/20 0.39
USP2 O75604 1/20 0.39
ALPL P05186 1/20 0.39
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 4/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
RBP4 P02753 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL7140730 0.76 PTGDR2 (0.62) PTGDR2ALOX15USP2ALPLALDH1A1
SCHEMBL7795831 0.75 TDP1 (0.42) ALDH1A1TDP1TSHRLMNATP53
SCHEMBL29426974 0.74 PTGDR2 (0.56) PTGDR2ALOX15USP2ALPLALDH1A1
SCHEMBL1542948 0.74 PTGDR2 (0.56) PTGDR2ALOX15USP2ALPLALDH1A1
SCHEMBL4613709 0.73 HSD17B10 (0.33) PTGDR2ALOX15
SCHEMBL3982874 0.72 PTGDR2 (0.62) PTGDR2ALOX15USP2ALPLALDH1A1
SCHEMBL3982876 0.71 PTGDR2 (0.65) PTGDR2ALOX15USP2ALPLALDH1A1
SCHEMBL13748304 0.70 PTGDR2 (0.64) PTGDR2ALOX15USP2ALPLALDH1A1
SCHEMBL7587512 0.70 PTGDR2 (0.51) PTGDR2ALOX15USP2ALPLALDH1A1
SCHEMBL9860880 0.70 PTGDR2 (0.51) PTGDR2ALOX15USP2ALPLALDH1A1

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
CN-1191243-C Dihydrobenzofuran and related compounds useful as anti-inflammatory agents UNIV VANDERBILT (US) 2005-03-02 CN disclosed
CN-1183126-C Dihydrobenzofuran and related compounds useful as anti-inflammatory agents ���±ȶ��ش�ѧ 2005-01-05 CN disclosed
CN-1157613-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents PROCTER & GAMBLE (US) 1997-08-20 CN disclosed
CN-1156993-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents PROCTER & GAMBLE (US) 1997-08-13 CN disclosed