SCHEMBL7935404

SCHEMBL7935404

CC1(C)CCCC(C)(C)N1OOC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
KMT2A Q03164 6/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
MEN1 O00255 3/20 0.39
CHRNA7 P36544 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4625144 0.84 KMT2A (0.61) LMNAF2KMT2ATSHRALDH1A1
SCHEMBL6486327 0.82 TSHR (0.52) LMNAF2KMT2ATSHRALDH1A1
Benzoyl Peroxide SCHEMBL28318388 0.75 LMNA (0.85) LMNAF2KMT2ATSHRALDH1A1
SCHEMBL6544700 0.75 GAA (0.54) LMNAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL9763162 0.74 LMNA (0.52) LMNAF2KMT2ATSHRALDH1A1
SCHEMBL27403915 0.73 TSHR (0.49) KMT2ATSHRALDH1A1HSD17B10MAPT
SCHEMBL6544633 0.73 KMT2A (0.49) LMNAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL6498977 0.73 ELANE (0.49) LMNAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL6544243 0.72 TSHR (0.44) LMNAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL9763159 0.72 LMNA (0.48) LMNAF2KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258905-B1 Stabilized, unimolecular initiators for hydrocarbon polymerization WU ZHE (US) 2001-07-10 US claimed
CN-110041451-B Preparation method of polyaldehyde-based polymer tanning agent 四川大学 2021-05-18 CN disclosed
US-6258905-B1 Stabilized, unimolecular initiators for hydrocarbon polymerization WU ZHE (US) 2001-07-10 US disclosed
US-6258905-B1 Stabilized, unimolecular initiators for hydrocarbon polymerization WU ZHE (US) 2001-07-10 US disclosed