SCHEMBL5308489

SCHEMBL5308489

Cc1cc(B(O)O)ccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
CA1 P00915 2/20 0.42
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PLA2G1B P04054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ENPP2 Q13822 5/20 0.34
TTR P02766 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
Hydrochloric Acid SCHEMBL5367708 0.88 ALDH1A1 (0.42) CA2LPLLIPGCA1LMNA
SCHEMBL14754916 0.83 CA2 (0.43) CA2LPLLIPGCA1LMNA
SCHEMBL16737927 0.81 CA2 (0.38) CA2LPLLIPGCA1ENPP2
SCHEMBL8168907 0.81 CA2 (0.38) CA2LPLLIPGCA1ENPP2
SCHEMBL16379257 0.78 CA2 (0.41) CA2LPLLIPGCA1LMNA
SCHEMBL3786865 0.78 ENPP2 (0.41) CA2LPLLIPGCA1LMNA
SCHEMBL16744695 0.77 LPL (0.34) CA2LPLLIPGCA1ENPP2
SCHEMBL40868 0.75 CA2 (0.52) CA2LPLLIPGCA1ALDH1A1
SCHEMBL29817989 0.75 CA2 (0.52) CA2LPLLIPGCA1ALDH1A1
SCHEMBL22939759 0.75 ALDH1A1 (0.35) LMNATRPA1CHRM1SLC6A2ADRA1A

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
CN-113666967-A Organometallic compound, organic light emitting device including the same, and electronic apparatus including the organic light emitting device 三星电子株式会社 2021-11-19 CN disclosed
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed