SCHEMBL5857915

SCHEMBL5857915

CCCCCCCCCCCCC1CCNC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.45
CCR2 P41597 7/20 0.42
CYP1A2 P05177 3/20 0.42
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CXCR4 P61073 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAAA Q02083 3/20 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
SCHEMBL17187540 1.00 CYP19A1 (0.45) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL24919786 1.00 CYP19A1 (0.45) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL8676129 1.00 CYP19A1 (0.45) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL6887346 0.98 CYP19A1 (0.43) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL2484772 0.92 CYP19A1 (0.42) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL7622441 0.89 CCR2 (0.47) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL9978692 0.89 CCR2 (0.47) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL9003899 0.88 CCR2 (0.52) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL5871975 0.88 CCR2 (0.52) CYP19A1CCR2CYP1A2CCR1CCR5
SCHEMBL15253305 0.88 CCR2 (0.52) CYP19A1CCR2CYP1A2CCR1CCR5

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
US-7137975-B2 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT, INC. (US) 2006-11-21 US claimed
US-20020161323-A1 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT INC. 2002-10-31 US claimed
US-7137975-B2 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT, INC. (US) 2006-11-21 US disclosed
US-20020161323-A1 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT INC. 2002-10-31 US disclosed