SCHEMBL21117982

SCHEMBL21117982

CCC(C)NC1CCCC[C@@H]1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
EPHX1 P07099 1/20 0.36
SHBG P04278 1/20 0.31
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20061126 0.85 KDM4E (0.45) KDM4EEPHX1SHBGGAACYP2C9
SCHEMBL20061141 0.85 KDM4E (0.45) KDM4EEPHX1SHBGGAACYP2C9
SCHEMBL48473 0.85 KDM4E (0.45) KDM4EEPHX1SHBGGAACYP2C9
SCHEMBL25517978 0.81 KDM4E (0.36) KDM4E
SCHEMBL25517977 0.81 KDM4E (0.36) KDM4E
SCHEMBL25518002 0.81 KDM4E (0.36) KDM4E
SCHEMBL172649 0.80 KDM4E (0.39) KDM4EEPHX1SHBGGAACYP2C9
SCHEMBL6891600 0.78 EPHX1 (0.41) KDM4EEPHX1SHBGGAACYP2C9
SCHEMBL28025157 0.78 KDM4E (0.40) KDM4EEPHX1SHBGGAACYP2C9
SCHEMBL21799818 0.76 KDM4E (0.39) KDM4EEPHX1SHBGGAACYP2C9

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
EP-3098873-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2019-06-26 EP disclosed