SCHEMBL30701422

SCHEMBL30701422

CCCCCCCCCC(C(N)=O)C(C)CCCCC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
S1PR2 O95136 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR4 O95977 4/20 0.42
OPRM1 P35372 1/20 0.41

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
SCHEMBL28723561 1.00 EPHX1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL31057932 1.00 EPHX1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL30701376 1.00 EPHX1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL28723571 1.00 EPHX1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL28888733 0.98 CA1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL30424295 0.90 CA1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL30423226 0.90 CA1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL16599743 0.90 CA1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL29789545 0.90 CA1 (0.47) EPHX1ACE2GPR84CA1CA2
SCHEMBL30424021 0.90 CA1 (0.47) EPHX1ACE2GPR84CA1CA2

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
CN-117222414-A Compounds for activating constant natural killer T-cells and methods for eliminating inflammatory senescent cells 脱落性治疗公司 2023-12-12 CN disclosed