SCHEMBL21183150

SCHEMBL21183150

CCCCC1(CCCC)c2cc(C(=O)C(=O)OCCC)ccc2-c2ccc(C(=O)c3ccc(Sc4ccccc4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21183191 0.96 PDK2 (0.34) PDK2ALDH1A1HPGDLMNACYP2C19
SCHEMBL21024775 0.93 PDK2 (0.35) PDK2ALDH1A1HPGDLMNACYP2C19
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 0.77 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1L3MBTL1NPC1
SCHEMBL21025042 0.75 PDK2 (0.43) PDK2ALDH1A1HPGDLMNACYP2C19
SCHEMBL21025428 0.74 ALDH1A1 (0.45) PDK2ALDH1A1HPGDLMNACNR2
SCHEMBL15498434 0.70 MAOA (0.41) PDK2CNR2GAA

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
EP-3514135-B1 FLUORENE PHOTOINITIATOR, PREPARATION METHOD THEREFOR, PHOTOCURABLE COMPOSITION HAVING SAME, AND USE OF SAME IN PHOTOCURING FIELD CHANGZHOU TRONLY ADVANCED ELECTRONIC MAT CO LTD (CN) 2021-04-21 — — EP disclosed
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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