SCHEMBL21387243

SCHEMBL21387243

O=CCCCCCCCCCCCNC(=O)CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.57
KDM4E B2RXH2 1/20 0.49
PRMT1 Q99873 1/20 0.48
FAAH O00519 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
SLC6A5 Q9Y345 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CASP2 P42575 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL8646274 0.93 EPHX2 (0.67) EPHX2KDM4EPRMT1FAAHCNR1
SCHEMBL15773253 0.93 EPHX2 (0.67) EPHX2KDM4EPRMT1FAAHCNR1
SCHEMBL17776037 0.88 EPHX2 (0.56) EPHX2KDM4EFAAHCNR1CNR2
SCHEMBL2807061 0.88 PRMT1 (0.60) EPHX2KDM4EPRMT1MEN1KMT2A
SCHEMBL18973109 0.87 EPHX2 (0.59) EPHX2KDM4EPRMT1FAAHCNR1
SCHEMBL18973044 0.87 EPHX2 (0.59) EPHX2KDM4EPRMT1FAAHCNR1
SCHEMBL19752293 0.87 EPHX2 (0.59) EPHX2KDM4EPRMT1FAAHCNR1
SCHEMBL18972946 0.87 EPHX2 (0.59) EPHX2KDM4EPRMT1FAAHCNR1
SCHEMBL6812011 0.85 PRMT1 (0.56) EPHX2KDM4EPRMT1MEN1KMT2A
SCHEMBL14946562 0.85 EPHX2 (0.62) EPHX2KDM4EPRMT1FAAHCNR1

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-3542796-A1 COMPOUND HAVING ANTI-CANCER EFFECT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 3D Medicines (Beijing) Co., Ltd. (CN) 2019-09-25 EP disclosed