SCHEMBL10435972

SCHEMBL10435972

CC(C)c1ccc(Br)cc1OO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
LPAR1 Q92633 1/20 0.41
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL12806459 0.82 LPAR1 (0.49) LPAR1LMNATDP1TSHR
SCHEMBL30626962 0.82 LPAR1 (0.49) LPAR1LMNATDP1TSHR
SCHEMBL21667494 0.78 HPGD (0.46) LPAR1LMNAMEN1HPGDHTT
SCHEMBL2465452 0.78 TRPA1 (0.41) GABRA1LMNATRPA1CHRM1SLC6A2
SCHEMBL14297589 0.77 LPAR1 (0.37) GABRA1GABRB1LPAR1LMNAHTR2B
SCHEMBL10348370 0.76 HTR2A (0.44) GABRA1GABRB1LPAR1LMNATRPA1
SCHEMBL14456037 0.76 ALDH1A1 (0.36) GABRA1GABRB1LPAR1MEN1HPGD
SCHEMBL12868653 0.76 HRH4 (0.43) GABRA1GABRB1LPAR1APLNR
SCHEMBL15459963 0.73 GABRA1 (0.52) GABRA1GABRB1LPAR1LMNATRPA1
SCHEMBL6280048 0.73 TRPA1 (0.44) TRPA1

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-0392305-A1 Agent for reducing ascorbic acid interference in liquid or dry phase assay systems and method relating thereto MILES INC. (US) 1990-10-17 EP disclosed