SCHEMBL5613091

SCHEMBL5613091

CCCCCc1ccc(-c2ccc(CCCCC)cc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.50
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46

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
SCHEMBL9399359 0.98 RARB (0.49) RARBHSD17B10TSHRALDH1A1ESR1
SCHEMBL21215485 0.95 SKP2 (0.47) RARBHSD17B10TSHRALDH1A1TP53
SCHEMBL27992110 0.90 GPR3 (0.50) RARBALDH1A1HTR2AGPR3
SCHEMBL4737345 0.89 GPR3 (0.54) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL7466244 0.83 HSD11B1 (0.50) RARBHSD17B10TSHRALDH1A1ESR1
SCHEMBL9400273 0.82 RAB9A (0.42) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9398826 0.81 RAB9A (0.50) RARBHSD17B10TSHRALDH1A1KDM4E
SCHEMBL18885486 0.80 HSD17B10 (0.51) RARBHSD17B10TSHRALDH1A1ESR1
SCHEMBL9398982 0.79 RARB (0.68) RARBHSD17B10TSHRALDH1A1ESR1
SCHEMBL9399850 0.79 RARB (0.65) RARBHSD17B10TSHRALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867624-A1 Method for manufacturing 2-bromo-4,4'-dialkyl biphenyl Saltigo GmbH (DE) 2007-12-19 EP disclosed