SCHEMBL27451500

SCHEMBL27451500

CC(C)(O)C(C)(C)OBc1ccc(-c2ccc(C3CCCCC3)cc2)c2oc3ccccc3c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CDC14B O60729 2/20 0.35
▸ CDC14A Q9UNH5 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ DHODH Q02127 1/20 0.32
▸ APP P05067 1/20 0.32
▸ S1PR1 P21453 3/20 0.32
▸ S1PR5 Q9H228 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
SCHEMBL27451243 0.86 CDC14B (0.44) CYP3A4CDC14BCDC14AKMT2AMEN1
SCHEMBL27451499 0.79 CDC14B (0.39) CYP3A4CDC14BCDC14AKMT2AMEN1
SCHEMBL21557538 0.75 CDC14B (0.35) CDC14BCDC14A
SCHEMBL27451632 0.75 ALOX5 (0.38) CYP2C9CDC14BCDC14A
SCHEMBL27452371 0.75 CDC14B (0.34) CYP3A4CDC14BCDC14AKMT2AMEN1
SCHEMBL27451857 0.75 CDC14B (0.37) CYP3A4CYP2C9CDC14BCDC14A
SCHEMBL24256453 0.74 AHR (0.37) CYP3A4CDC14BCDC14AKMT2AMEN1
SCHEMBL23285610 0.74 CDC14B (0.33) CYP3A4CDC14BCDC14AKMT2AMEN1
SCHEMBL24256715 0.74 CDC14B (0.36) CDC14BCDC14A
SCHEMBL21187069 0.72 KDM4E (0.33) CYP3A4CDC14BCDC14AKMT2AMEN1

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-2024144086-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-07-04 — — WO disclosed
Send feedback