SCHEMBL14280828

SCHEMBL14280828

Cc1cccc(C)c1-c1cccc(-c2cccc(-c3cccc(-c4c(C)cccc4C)n3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.52
CCR8 P51685 2/20 0.52
HTR7 P34969 2/20 0.49
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALPL P05186 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CCR5 P51681 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL24729625 0.85 CCR1 (0.68) CCR1CCR8HTR7MEN1RAB9A
SCHEMBL31655443 0.83 CCR1 (0.46) CCR1CCR8HTR7KDM4ELMNA
SCHEMBL29899251 0.83 NOS3 (0.54) CCR1CCR8HTR7ALDH1A1CD44
SCHEMBL12999311 0.81 HTR7 (0.44) CCR1CCR8HTR7CYP2A6CYP1A2
SCHEMBL3623211 0.80 CCR1 (0.42) CCR1CCR8HTR7KDM4ELMNA
SCHEMBL4401753 0.79 CCR1 (0.52) CCR1CCR8HTR7KDM4ELMNA
SCHEMBL25999784 0.78 NOS3 (0.48) CCR1CCR8HTR7CYP2A6CYP1A2
SCHEMBL15570417 0.78 AR (0.45) CCR1CCR8HTR7LMNACCR5
SCHEMBL12999270 0.78 DHFR (0.40) HTR7KDM4ELMNATP53ALOX15
SCHEMBL18396906 0.78 RAB9A (0.41) CCR1CCR8HTR7LMNAMAPK1

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-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed
US-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed