SCHEMBL4583132

SCHEMBL4583132

CNC(=O)C(C)(C)C[C@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.35
RORC P51449 5/20 0.31
THRB P10828 4/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.30
TP53 P04637 2/20 0.30
LMNA P02545 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
SCHEMBL3466476 1.00 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL8257866 1.00 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2915124 0.95 REN (0.38) RENRORC
SCHEMBL2917904 0.95 REN (0.38) RENRORC
SCHEMBL2926428 0.95 REN (0.33) REN
SCHEMBL2920516 0.94 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2925320 0.94 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL3561065 0.94 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL14272005 0.94 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2922512 0.93 REN (0.33) REN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed