SCHEMBL22745104

SCHEMBL22745104

CC(C)(C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)N4CCOCC4)cc3)c3ccccc3-c3ccccc32)cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PDK2 Q15119 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ APAF1 O14727 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL22745167 0.94 TSHR (0.48) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL22745277 0.90 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL29546553 0.90 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL23566816 0.90 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL22745169 0.88 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL22745273 0.87 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL22745179 0.85 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL23567580 0.85 HPGD (0.44) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL23567072 0.84 ALDH1A1 (0.39) TSHRALDH1A1SMN1; SMN2MAPK1HRH3
SCHEMBL22745180 0.84 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2MAPK1HRH3

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
WO-2020238862-A1 FLUORENE INITIATOR, PHOTOCURABLE COMPOSITION COMPRISING SAME, AND APPLICATION THEREOF 常州强力先端电子材料有限公司 2020-12-03 — — WO disclosed
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