SCHEMBL8268558

SCHEMBL8268558

CC(C)Oc1cc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3)C2)ccc1C(C)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 3/20 0.45
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL4462270 0.90 SMN1; SMN2 (0.52) TP53SMN1; SMN2TSHRDRD4ALDH1A1
SCHEMBL4458570 0.89 TP53 (0.49) TP53SMN1; SMN2TSHRDRD4ALDH1A1
SCHEMBL8269420 0.89 TP53 (0.47) TP53SMN1; SMN2TSHRDRD4ALDH1A1
SCHEMBL27702523 0.84 TP53 (0.49) TP53SMN1; SMN2TSHRDRD4ALDH1A1
SCHEMBL4466954 0.83 TP53 (0.48) TP53SMN1; SMN2TSHRDRD4ALDH1A1
SCHEMBL8268614 0.82 PDE4A (0.36) TP53SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4472360 0.82 SMN1; SMN2 (0.53) TP53SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL4457771 0.82 SMN1; SMN2 (0.53) TP53SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL4458851 0.82 SMN1; SMN2 (0.53) TP53SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL4472346 0.79 TP53 (0.47) TP53SMN1; SMN2TSHRDRD4

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-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed