SCHEMBL863364

SCHEMBL863364

CCCCCCc1cc(-c2sc(Br)cc2CCCCOc2ccccc2)sc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL15247276 0.84 ALOX5 (0.33) CYP3A4HTTTSHR
SCHEMBL868781 0.83 MEN1 (0.33) NR1I2CHRM2ADRA2ACNR1OPRK1
SCHEMBL863202 0.81 THRA (0.33) CYP3A4HTTTSHR
SCHEMBL12887140 0.78 ALOX5 (0.36) HTR2ACYP3A4HTTTSHR
SCHEMBL15724617 0.77 ALOX5 (0.36) KCNH2CYP3A4HTTTSHR
SCHEMBL15724614 0.75 ALOX5 (0.39) KCNH2CYP3A4HTTTSHR
SCHEMBL2971213 0.74 ALOX5 (0.38) KCNH2CYP3A4HTTTSHR
SCHEMBL3774000 0.74 GPR35 (0.36) HTR2ACYP3A4HTTTSHR
SCHEMBL10021733 0.74 ALOX5 (0.38) KCNH2CYP3A4HTTTSHR
SCHEMBL19628240 0.73 ALOX5 (0.37) HTR2ACYP3A4HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
WO-2012044778-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed