SCHEMBL9756870

SCHEMBL9756870

CCCCc1cc(Br)ccc1S(=O)(=O)c1ccc(Br)cc1CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.39
EDNRA P25101 4/20 0.39
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
GAA P10253 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.34
LMNA P02545 2/20 0.33
CTRC Q99895 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDR1 Q08345 1/20 0.33
POLB P06746 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
SCHEMBL9333124 0.79 TYR (0.56) TYRTSHRNPC1RAB9AGAA
SCHEMBL8978666 0.79 KDM4E (0.40) TYRSMN1; SMN2TSHRGAACA2
SCHEMBL11507492 0.76 GLA (0.42) EDNRBEDNRASMN1; SMN2TSHRGLA
SCHEMBL11809248 0.76 TYR (0.41) TYRSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL30645662 0.76 TYR (0.41) TYRSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL21985350 0.74 SKP2 (0.43) TYRSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL10181651 0.74 LIPG (0.43) SMN1; SMN2GAACA2
SCHEMBL573894 0.73 TYR (0.52) TYRSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL10408209 0.73 SKP2 (0.50) TYRSMN1; SMN2TSHRGLANPC1
SCHEMBL17376656 0.73 TYR (0.39) TYRSMN1; SMN2TSHRNPC1RAB9A

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