SCHEMBL29320405

SCHEMBL29320405

CCCCCOCCCCNCCCCOCCCCNCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CASR P41180 1/20 0.37
SPHK1 Q9NYA1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TLR2 O60603 3/20 0.34
PLA2G2C Q5R387 2/20 0.34
EPHX2 P34913 1/20 0.34
ADRB2 P07550 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29320443 0.99 USP2 (0.46) USP2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL29321208 0.90 KDM4E (0.37) USP2HTTCYP1A2CYP3A4LPAR5
SCHEMBL29320515 0.88 ADRB2 (0.34) USP2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL16298538 0.87 KDM4E (0.42) USP2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL16298540 0.87 KDM4E (0.44) USP2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL15218975 0.87 KDM4E (0.39) USP2HTTLPAR5KDM4ECASR
SCHEMBL29320460 0.86 USP2 (0.33) USP2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL19660807 0.85 KDM4E (0.40) USP2HTTKDM4ECASRALDH1A1
SCHEMBL15218991 0.85 KDM4E (0.40) USP2HTTKDM4ECASRALDH1A1
SCHEMBL24306538 0.85 ADRB2 (0.39) USP2HTTCYP1A2CYP3A4CYP2C19

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
US-20240228853-A1 TEXTILE TEMPERATURE REGULATING AGENTS DEVAN CHEMICALS NV (BE) 2024-07-11 US disclosed