SCHEMBL28679016

SCHEMBL28679016

COC(=O)c1cccc(C(=O)O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CFTR P13569 1/20 0.48
SLC6A3 Q01959 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL987813 0.92 TSHR (0.57) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL27804902 0.88 CA12 (0.46) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL14296805 0.85 LMNA (0.50) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL16960155 0.85 LMNA (0.50) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL1116170 0.83 ALDH1A1 (0.60) TSHRHSD17B10ALDH1A1ALOX15MAPT
SCHEMBL27468185 0.83 TSHR (0.48) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL29279663 0.82 TSHR (0.52) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL29616326 0.81 LMNA (0.66) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL1707841 0.81 TSHR (0.50) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL16960929 0.81 TSHR (0.50) TSHRLMNAHSD17B10ALDH1A1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943287-B Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2023-02-03 CN disclosed
CN-113943290-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-01-18 CN disclosed
CN-113943287-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-01-18 CN disclosed