SCHEMBL9720096

SCHEMBL9720096

CCC1(C)CC(=O)CC(C)(C)C1.CCC1(C)CC(=O)CC1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7750037 0.85 KDM4E (0.32) KDM4ELMNACYP2C19
SCHEMBL932594 0.78 KDM4E (0.46) KDM4ELMNACYP2C19
SCHEMBL7749958 0.69 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL7750053 0.69 GPBAR1 (0.31)
SCHEMBL7749976 0.65 LMNA (0.34) KDM4ELMNACYP2C19
SCHEMBL7696651 0.63 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL7745359 0.62 L3MBTL1 (0.30)
SCHEMBL7752641 0.62
SCHEMBL3091624 0.60 KDM4E (0.37) KDM4ELMNACYP2C19
SCHEMBL638075 0.60 MAPT (0.36) KDM4ELMNACYP2C19

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-5134195-A Blend of polycarbonate, polyurethane and graft polymer BAYER AKTIENGESELLSCHAFT (DE) 1992-07-28 US disclosed