SCHEMBL24259982

SCHEMBL24259982

CCC(CC)C(c1ccc(NCc2nc3ccccc3s2)cc1)n1cncn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.72
CYP3A4 P08684 3/20 0.72
CYP2C9 P11712 3/20 0.72
CYP2C8 P10632 2/20 0.72
CYP26B1 Q9NR63 2/20 0.72
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
HTT P42858 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MGLL Q99685 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35

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
Talarozole SCHEMBL4984008 0.84 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL721201 0.84 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL3739251 0.84 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL21020998 0.84 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4982977 0.77 CYP26A1 (0.65) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4983683 0.72 CYP26A1 (0.63) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL9005425 0.72 CYP26A1 (0.77) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL9005429 0.71 CYP26A1 (0.76) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL13642299 0.70 CYP26A1 (0.73) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4986440 0.69 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1

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-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed