SCHEMBL5990939

SCHEMBL5990939

CCCCCCCCC1(CCC(=O)O)c2ccccc2-c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.73
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP13 P45452 2/20 0.43
CYP2C19 P33261 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SOAT1 P35610 2/20 0.42

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
SCHEMBL3970295 0.86 APEX1 (0.74) APEX1HDAC11TSHRALDH1A1TDP1
SCHEMBL29506870 0.86 APEX1 (0.74) APEX1HDAC11TSHRALDH1A1TDP1
SCHEMBL1395294 0.86 APEX1 (0.47) APEX1MMP2MMP9MMP8MMP13
SCHEMBL6060916 0.86 APEX1 (0.47) APEX1MMP2MMP9MMP8MMP13
SCHEMBL5866539 0.86 APEX1 (1.00) APEX1CYP2C19HDAC11TSHRALDH1A1
SCHEMBL17034549 0.86 APEX1 (0.47) APEX1MMP2MMP9MMP8MMP13
SCHEMBL6060794 0.86 APEX1 (0.47) APEX1MMP2MMP9MMP8MMP13
SCHEMBL1681761 0.86 APEX1 (0.47) APEX1MMP2MMP9MMP8MMP13
SCHEMBL6060635 0.86 APEX1 (0.47) APEX1MMP2MMP9MMP8MMP13
SCHEMBL6060689 0.86 APEX1 (0.47) APEX1MMP2MMP9MMP8MMP13

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
US-20130027636-A1 CLASS OF BRIDGED BIPHENYLENE POLYMERS SUMITOMO CHEMICAL CO., LTD. (JP) 2013-01-31 US disclosed
US-20060094859-A1 Class of bridged biphenylene polymers SUMITOMO CHEMICAL CO., LTD. (JP) 2006-05-04 US disclosed