SCHEMBL3633779

SCHEMBL3633779

C=C(C(=O)O)C(C=C(Cc1ccccc1)C(=O)O)CCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
CTSK P43235 7/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSH P09668 1/20 0.37

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
SCHEMBL8820421 0.80 CA2 (0.35)
SCHEMBL8769847 0.79 ACHE (0.35)
SCHEMBL6526872 0.77 HDAC3 (0.43) CNR2CYP3A4MEN1KMT2APOLB
SCHEMBL7879109 0.76 FFAR4 (0.39) CYP2C9MEN1KMT2APOLBPPARG
SCHEMBL15639721 0.75 TBXAS1 (0.41) CYP3A4CYP2C9
SCHEMBL9234963 0.75 ACHE (0.33)
SCHEMBL8352283 0.74 HDAC3 (0.40) CNR2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL4442361 0.73 FFAR1 (0.42) MEN1KMT2APPARG
SCHEMBL2787511 0.72 ACHE (0.37)
SCHEMBL800484 0.72 CYP3A4 (0.58) CNR2CYP3A4CYP2C9MEN1KMT2A

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
EP-2152400-A1 METAL SALT NANOGEL-CONTAINING POLYMERS Helling Innovation UG (haftungsbeschränkt) (DE) 2010-02-17 EP disclosed
WO-2008135212-A1 METAL SALT NANOGEL-CONTAINING POLYMERS HELLING GUENTER (DE) 2008-11-13 WO disclosed