SCHEMBL28601368

SCHEMBL28601368

CCCCC(C)CCCCCCCCCCCOc1cc(CBr)ccc1CBr

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.37
PPARG P37231 3/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
PPARA Q07869 2/20 0.35
HTR1A P08908 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 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
SCHEMBL28608885 1.00 SIGMAR1 (0.37) SIGMAR1PPARGPTGESALOX5ALDH1A1
SCHEMBL28591548 0.97 SIGMAR1 (0.39) SIGMAR1PPARGALDH1A1GAAMAPT
SCHEMBL28594737 0.97 SIGMAR1 (0.39) SIGMAR1PPARGALDH1A1GAAMAPT
SCHEMBL28600084 0.95 SIGMAR1 (0.34) SIGMAR1PPARGALDH1A1GAAMAPT
SCHEMBL2710343 0.89 ALDH1A1 (0.43) ALDH1A1GAAMAPTTHRBNPSR1
SCHEMBL29611668 0.86 HTR2A (0.37) PPARGALDH1A1GAAMAPTTHRB
SCHEMBL29612251 0.86 HTR2A (0.37) PPARGALDH1A1GAAMAPTTHRB
SCHEMBL29612144 0.83 PPARG (0.39) PPARGALDH1A1GAAMAPTTHRB
SCHEMBL29612121 0.83 PPARG (0.39) PPARGALDH1A1GAAMAPTTHRB
SCHEMBL29611752 0.80 PPARG (0.34) PPARGALDH1A1GAAMAPTTHRB

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-113105570-B Liquid two-photon initiator and preparation method and application thereof 之江实验室 2022-05-03 CN disclosed
CN-113105570-A Liquid two-photon initiator and preparation method and application thereof 之江实验室 2021-07-13 CN disclosed