SCHEMBL9149170

SCHEMBL9149170

CC(=O)c1ccc(CCCN(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
LMNA P02545 2/20 0.56
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
KMT2A Q03164 1/20 0.53
PYCR1 P32322 1/20 0.47
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
BCL2L1 Q07817 1/20 0.45
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1346949 0.85 RARB (0.59) HSD17B10LMNATHRATHRBKMT2A
SCHEMBL9725198 0.84 HSD17B10 (0.56) HSD17B10LMNATHRATHRBKMT2A
SCHEMBL17457887 0.84 HSD17B10 (0.74) HSD17B10LMNATHRATHRBKMT2A
SCHEMBL11424105 0.84 HSD17B10 (0.74) HSD17B10LMNATHRATHRBKMT2A
SCHEMBL11249546 0.84 THRA (0.53) HSD17B10LMNATHRATHRBKCNH2
SCHEMBL11451779 0.84 THRA (0.53) LMNATHRATHRBKCNH2SIGMAR1
SCHEMBL28049825 0.82 THRA (0.63) LMNATHRATHRBKCNH2SIGMAR1
SCHEMBL9670561 0.82 SIGMAR1 (0.64) LMNAKCNH2SIGMAR1HRH3
SCHEMBL5068476 0.81 CYP4A11 (0.68) HSD17B10LMNATHRATHRBKDM4E
SCHEMBL432732 0.81 THRA (0.64) HSD17B10THRATHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113777883-A Photocurable composition and pattern forming method 东京应化工业株式会社 2021-12-10 CN disclosed
CN-113777884-A Photocurable composition and pattern forming method 东京应化工业株式会社 2021-12-10 CN disclosed
EP-0401798-B1 Substituted aminoalkylbenzene derivatives HOFFMANN LA ROCHE (CH) 1995-01-11 EP disclosed
US-5137920-A METHOD OF TREATING FUNGAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 1992-08-11 US disclosed
EP-0401798-A2 Substituted aminoalkylbenzene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-12-12 EP disclosed