SCHEMBL21183191

SCHEMBL21183191

CCCCOC(=O)C(=O)c1ccc2c(c1)C(CCCC)(CCCC)c1cc(C(=O)c3ccc(Sc4ccccc4)cc3)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP2C19 P33261 2/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ RNASEL Q05823 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL21183150 0.96 PDK2 (0.34) PDK2ALDH1A1HPGDL3MBTL1TSHR
SCHEMBL21024775 0.93 PDK2 (0.35) PDK2ALDH1A1HPGDL3MBTL1TSHR
SCHEMBL21183192 0.90 PDK2 (0.33) PDK2ALDH1A1HPGD
SCHEMBL21024688 0.88 PDK2 (0.34) PDK2ALDH1A1HPGDCYP2C19
SCHEMBL21024796 0.86 PDK2 (0.35) PDK2ALDH1A1HPGDCNR2
SCHEMBL21025036 0.79 PDK2 (0.46) PDK2ALDH1A1HPGDCNR2
SCHEMBL21024709 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL21025042 0.75 PDK2 (0.43) PDK2ALDH1A1HPGDL3MBTL1TDP1
SCHEMBL21025428 0.74 ALDH1A1 (0.45) PDK2ALDH1A1HPGDL3MBTL1TSHR
SCHEMBL15498434 0.70 MAOA (0.41) PDK2CNR2MEN1KMT2A

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-3514135-A1 FLUORENE PHOTOINITIATOR, PREPARATION METHOD THEREFOR, PHOTOCURABLE COMPOSITION HAVING SAME, AND USE OF SAME IN PHOTOCURING FIELD Changzhou Tronly Advanced Electronic Materials Co., Ltd. (CN) 2019-07-24 — — EP disclosed
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