SCHEMBL18676271

SCHEMBL18676271

CCCN1CCC(NC(=O)OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.54
EPHX2 P34913 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
PABPC1 P11940 1/20 0.47
CCR5 P51681 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL17285628 0.87 EPHX1 (0.51) EPHX1EPHX2L3MBTL1KDM4ESMN1; SMN2
SCHEMBL27872386 0.85 CCR5 (0.43) EPHX1EPHX2L3MBTL1KDM4ESMN1; SMN2
SCHEMBL12971748 0.84 KCNA3 (0.57) EPHX1EPHX2L3MBTL1KDM4ESMN1; SMN2
SCHEMBL13136091 0.82 EPHX1 (0.56) EPHX1EPHX2L3MBTL1KDM4ESMN1; SMN2
SCHEMBL22892866 0.82 CCR5 (0.52) CCR5
SCHEMBL24744482 0.81 L3MBTL1 (0.62) EPHX1EPHX2L3MBTL1KDM4ESMN1; SMN2
SCHEMBL12482202 0.80 SSTR4 (0.42) KDM4EALDH1A1
SCHEMBL8418348 0.79 KDM4E (0.46) EPHX1EPHX2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL28861677 0.79 KMT2A (0.43) KDM4ESMN1; SMN2NPSR1ALDH1A1KMT2A
SCHEMBL21290845 0.79 KDM4E (0.46) EPHX1EPHX2KDM4ESMN1; SMN2ALDH1A1

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-3147279-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF Fuji Chemical Industry Co., Ltd. (JP) 2017-03-29 EP disclosed