SCHEMBL22745181

SCHEMBL22745181

CCC(CC)(C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(CC)(CC)N4CCOCC4)cc3)c3cc(C(=O)c4ccccc4)ccc3-c3ccc(C(=O)C(CC)(CC)N4CCOCC4)cc32)cc1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CTNNB1 P35222 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ACHE P22303 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ BCHE P06276 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
SCHEMBL22745103 0.96 PDK2 (0.41) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL22745179 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL23567582 0.86 HPGD (0.42) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL22745178 0.86 TSHR (0.34) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL22745277 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL22745176 0.85 PDK2 (0.41) ALDH1A1HPGDTSHRNPC1MAPK1
SCHEMBL23805928 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL23567418 0.81 HPGD (0.41) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL22745169 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL22745167 0.80 TSHR (0.48) ALDH1A1SMN1; SMN2HPGDTSHRNPC1

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
Send feedback