SCHEMBL21097245

SCHEMBL21097245

CCCCCCc1c(Br)cc(O)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.57
CYP3A4 P08684 3/20 0.53
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47
TST Q16762 1/20 0.47

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
SCHEMBL14814601 0.82 PTGS2 (0.53) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL8359711 0.82 PTGS2 (0.53) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL19433103 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL19433098 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL18704823 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL18704830 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL8780191 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL18704811 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL19433099 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL16018027 0.79 PTGS2 (0.61) PTGS2CYP3A4ESR1ADRA2AADORA3

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-11008460-B2 Flame-retarded polyamide composition ICL-IP AMERICA INC. (US) 2021-05-18 US disclosed
US-20190185669-A1 FLAME-RETARDED POLYAMIDE COMPOSITION ICL-IP AMERICA INC. 2019-06-20 US disclosed