SCHEMBL5655012

SCHEMBL5655012

CCCCCCCCC1(CCCCCCCC)c2cccc3ccc4cccc1c4c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
MMP8 P22894 4/20 0.40
MMP13 P45452 4/20 0.40
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A1 P04798 1/20 0.34
TSHR P16473 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP3 P08254 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 5/20 0.33
KDM4E B2RXH2 4/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33

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
SCHEMBL12927702 0.87 CYP1B1 (0.35) MMP2MMP9MMP8MMP13KCNH2
SCHEMBL7120083 0.79 TYMS (0.45) MMP2MMP9MMP8MMP13ALDH1A1
Pyrene SCHEMBL8821795 0.78 ALDH1A1 (0.58) KCNH2MCHR1ALDH1A1CYP3A4CYP1A2
Pyrene SCHEMBL28128984 0.78 ALDH1A1 (0.58) KCNH2MCHR1ALDH1A1CYP3A4CYP1A2
Ammonia Solution, Strong SCHEMBL28189134 0.77 MMP2 (0.46) MMP2MMP9MMP8MMP13ALDH1A1
Pyrene SCHEMBL28193182 0.76 ALDH1A1 (0.61) KCNH2MCHR1ALDH1A1CYP3A4CYP1A2
SCHEMBL14736023 0.76 APEX1 (0.47) MMP2MMP9MMP8MMP13MMP3
SCHEMBL6060635 0.76 APEX1 (0.47) MMP2MMP9MMP8MMP13MMP3
SCHEMBL3368133 0.76 CNR1 (0.39) MMP2MMP9MMP8MMP13KCNH2
SCHEMBL1395156 0.76 APEX1 (0.47) MMP2MMP9MMP8MMP13MMP3

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-7309532-B2 Cyclopentaphenanthrene-based compound and organoelectroluminescent device employing the same SAMSUNG SDI CO., LTD. (KR) 2007-12-18 US disclosed
US-20050106418-A1 Cyclopentaphenanthrene-based compound and organoelectroluminescent device employing the same SAMSUNG SDI CO., LTD. 2005-05-19 US disclosed