SCHEMBL22745167

SCHEMBL22745167

CC(C)(C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)N4CCOCC4)cc3)c3ccccc3-c3ccc(C(=O)C(C)(C)N4CCOCC4)cc32)cc1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PDK2 Q15119 12/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TP53 P04637 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
SCHEMBL22745169 0.94 ALDH1A1 (0.53) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL22745104 0.94 TSHR (0.53) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL22745277 0.93 ALDH1A1 (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL22745179 0.91 ALDH1A1 (0.46) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL22745180 0.90 ALDH1A1 (0.49) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL23567580 0.90 HPGD (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL22745273 0.90 ALDH1A1 (0.41) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL22745173 0.89 ALDH1A1 (0.48) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL23566816 0.89 ALDH1A1 (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3
SCHEMBL29546553 0.89 ALDH1A1 (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1HRH3

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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