SCHEMBL8902163

SCHEMBL8902163

Cc1c(O)cccc1CCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
IAPP P10997 3/20 0.39
HTR1A P08908 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSPA5 P11021 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR2A P28223 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.35
SHBG P04278 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11863734 0.84 TDP1 (0.40) TAAR1GABRA1GABRB2TSHR
SCHEMBL8900885 0.83 TRPA1 (0.50) TRPA1ATMIAPPHTR1AMAPT
SCHEMBL29217459 0.81 TYR (0.43) TRPA1ATMMAPTMEN1KMT2A
SCHEMBL1917838 0.81 TRPA1 (0.48) TRPA1ATMIAPPHTR1AMAPT
SCHEMBL1039776 0.81 TRPA1 (0.48) TRPA1ATMIAPPHTR1AMAPT
SCHEMBL27622035 0.79 TRPA1 (0.46) TRPA1ATMIAPPHTR1AMAPT
SCHEMBL29712516 0.78 ESR1 (0.42) TRPA1ATMMAPTTP53GAA
SCHEMBL10933913 0.78 ESR1 (0.42) TRPA1ATMMAPTTP53GAA
SCHEMBL29788064 0.78 TAAR1 (0.60) HTR1AHSPA5TAAR1CYP2D6TSHR
SCHEMBL990719 0.78 TAAR1 (0.60) HTR1AHSPA5TAAR1CYP2D6TSHR

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-5700897-A Method for making fluorescent polymers OPTICAL SENSORS INCORPORATED (US) 1997-12-23 US disclosed
US-5480723-A Surface-bound fluorescent polymers and related methods of synthesis and use OPTICAL SENSORS INCORPORATED (US) 1996-01-02 US disclosed
US-5354825-A Surface-bound fluorescent polymers and related methods of synthesis and use KLAINER STANLEY M (US) 1994-10-11 US disclosed
WO-1988005533-A1 AMPLIFICATION OF SIGNALS FROM OPTICAL FIBERS KELSIUS, INC. (US) 1988-07-28 WO disclosed