SCHEMBL23978348

SCHEMBL23978348

CCn1cc(CCCC(C)=O)nn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
HDAC1 Q13547 9/20 0.43
GGPS1 O95749 3/20 0.43
CYP19A1 P11511 3/20 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
SCHEMBL18289680 0.90 CYP19A1 (0.41) EPHX2HDAC1GGPS1CYP19A1
SCHEMBL23974499 0.86 HDAC1 (0.43) EPHX2HDAC1GGPS1CYP19A1
SCHEMBL19303294 0.84 FOLH1 (0.47) EPHX2HDAC1
SCHEMBL12092355 0.83 GGPS1 (0.46) EPHX2HDAC1GGPS1
SCHEMBL18768800 0.83 EPHX2 (0.57) EPHX2HDAC1
SCHEMBL24276636 0.83 HDAC1 (0.48) EPHX2HDAC1
SCHEMBL14982736 0.82 CYP19A1 (0.50) GGPS1CYP19A1
SCHEMBL24276661 0.81 EPHX2 (0.47) EPHX2HDAC1
SCHEMBL18769031 0.81 EPHX2 (0.59) EPHX2HDAC1
SCHEMBL23221642 0.81 EPHX2 (0.50) EPHX2CYP19A1

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
WO-2021222777-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS MAGNANI JOHN L (US) 2021-11-04 WO disclosed