SCHEMBL15547442

SCHEMBL15547442

Cc1cccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.62
PPARG P37231 7/20 0.62
PPARD Q03181 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
GMNN O75496 1/20 0.62
USP2 O75604 1/20 0.62
USP1 O94782 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL18976829 0.77 NPC1 (0.51) ALDH1A1LMNANPC1L3MBTL1
Gw7647 SCHEMBL361372 0.77 PPARA (1.00) PPARAPPARGPPARDNPSR1GMNN
SCHEMBL22100299 0.76 PPARA (0.98) PPARAPPARGPPARDNPSR1GMNN
SCHEMBL6552622 0.74 PPARA (0.80) PPARAPPARGPPARDNPSR1GMNN
Ammonia Solution, Strong SCHEMBL6304391 0.72 HRH3 (0.48) LMNANPC1
SCHEMBL16191317 0.72 NPC1 (0.54) ALDH1A1LMNANPC1L3MBTL1
SCHEMBL10888932 0.70 PPARA (0.47) PPARAPPARGPPARDCYP3A4MAPT
SCHEMBL5051860 0.70 EPHX2 (0.68) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL11950268 0.69 NPC1 (0.55) ALDH1A1LMNATP53POLBNPC1
SCHEMBL17471269 0.68 PPARA (0.70) PPARAPPARGPPARDNPSR1GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014015318-A1 SOLUBLE COMPOUNDS FOR IMPROVED GENE THERAPY METHODS BLUEBIRD BIO, INC. (US) 2014-01-23 WO disclosed