SCHEMBL9756811

SCHEMBL9756811

CCCCCCc1ccc(Br)c(C2CCCCC2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.39
CNR2 P34972 8/20 0.39
TYR P14679 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 2/20 0.35
RBP1 P09455 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 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
SCHEMBL28224002 0.81 BCHE (0.38) CNR1CNR2ALOX5RBP1LIPG
SCHEMBL31022329 0.77 EPHX2 (0.40) CNR1CNR2EPHX2
SCHEMBL28168404 0.77 BCHE (0.39) CNR1CNR2
SCHEMBL11615965 0.74 TYR (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL11615877 0.74 TYR (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL11616253 0.74 TYR (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL11616752 0.74 TYR (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL2470964 0.74 CNR1 (0.39) CNR1CNR2TYRMEN1TP53
SCHEMBL6345433 0.74 TYR (0.55) CNR1CNR2TYRMEN1TP53
SCHEMBL27957139 0.74 CNR1 (0.47) CNR1CNR2TYRMEN1TP53

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-5045629-A Contacting with steam PHILLIPS PETROLEUM COMPANY (US) 1991-09-03 US disclosed
US-5037954-A Method to recover liquified poly(arylene sulfide) with separation agent PHILLIPS PETROLEUM COMPANY (US) 1991-08-06 US disclosed
EP-0436120-A2 Method to recover poly(arylene sulfide)s PHILLIPS PETROLEUM COMPANY (US) 1991-07-10 EP disclosed
US-4963651-A VAPOR PHASE SEPARATION; COOLING, SOLIDIFYING, SLURRYING PHILLIPS PETROLEUM COMPANY (US) 1990-10-16 US disclosed