SCHEMBL20180705

SCHEMBL20180705

CCCCCCC(C)(F)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 2/20 0.43
FAAH O00519 7/20 0.42
CES1 P23141 5/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL11304466 0.92 CA1 (0.42) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL11299245 0.92 CA1 (0.42) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL11795301 0.82 CES2 (0.60) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL11288151 0.82 CES2 (0.60) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL5146085 0.82 CES2 (0.60) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL18612495 0.82 MAPT (0.47) CES2MEN1KMT2AMAPTATM
SCHEMBL28723450 0.82 MAPT (0.47) CES2MEN1KMT2AMAPTATM
SCHEMBL28070477 0.82 MAPT (0.47) CES2MEN1KMT2AMAPTATM
SCHEMBL14445397 0.82 MAPT (0.47) CES2MEN1KMT2AMAPTATM
SCHEMBL28978239 0.82 MAPT (0.47) CES2MEN1KMT2AMAPTATM

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-3151919-B1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2023-08-30 EP disclosed
WO-2018093924-A1 CARBON MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-24 WO disclosed