SCHEMBL28487707

SCHEMBL28487707

CCCCCCCC/C=C\CCCCCCCC(=O)NC(CC)(NC(=O)CCCCCCC/C=C\CCCCCCCC)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.62
TERT O14746 3/20 0.50
KMT2A Q03164 3/20 0.50
EPHX2 P34913 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C19 P33261 2/20 0.50
BLM P54132 2/20 0.50
HSD17B10 Q99714 2/20 0.50
FABP4 P15090 2/20 0.50
MEN1 O00255 2/20 0.50
FAAH O00519 2/20 0.50
PTPN1 P18031 2/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL428924 0.96 HRH3 (0.58) HRH3KMT2AMAPTBLMHSD17B10
Bromide SCHEMBL8773079 0.92 HRH3 (0.57) HRH3TERTKMT2AEPHX2CYP1A2
SCHEMBL432074 0.91 HSP90AA1 (0.50) HRH3KMT2AMEN1FAAHPOLB
Hydrochloric Acid SCHEMBL116063 0.89 HSP90AA1 (0.48) HRH3KMT2AMEN1FAAHPOLB
SCHEMBL11755295 0.82 HRH3 (0.58) HRH3TERTKMT2AEPHX2CYP1A2
SCHEMBL11899543 0.80 HRH3 (0.68) HRH3TERTKMT2AEPHX2CYP1A2
SCHEMBL28441056 0.80 HRH3 (0.68) HRH3TERTKMT2AEPHX2CYP1A2
SCHEMBL11260061 0.80 HRH3 (0.71) HRH3TERTKMT2AEPHX2CYP1A2
SCHEMBL11260057 0.80 HRH3 (0.71) HRH3TERTKMT2AEPHX2CYP1A2
SCHEMBL18979364 0.79 HRH3 (0.66) HRH3TERTKMT2ACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074559-B Siloxanes for treating textiles and for use in cleaning and care formulations 赢创运营有限公司 2022-07-26 CN disclosed
CN-112074559-A Siloxanes for treating textiles and for use in cleaning and care formulations 赢创运营有限公司 2020-12-11 CN disclosed