SCHEMBL5706288

SCHEMBL5706288

Cc1cc(CCCNNCCCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 4/20 0.44
GSR P00390 2/20 0.44
SCN2A Q99250 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
BLM P54132 2/20 0.40
ATM Q13315 2/20 0.40
HIF1A Q16665 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40

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
SCHEMBL9183204 0.90 GAA (0.52) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1355342 0.90 GAA (0.61) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9179728 0.88 CYP1A2 (0.57) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9182581 0.86 CYP1A2 (0.55) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9182253 0.86 CYP1A2 (0.55) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9182396 0.86 CYP1A2 (0.55) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9183390 0.86 CYP1A2 (0.55) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9182919 0.86 CYP1A2 (0.55) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9184150 0.86 CYP1A2 (0.55) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9179965 0.86 CYP1A2 (0.55) GAACYP1A2CYP2C9CYP2C19KMT2A

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-1688461-A1 POLYACETAL RESIN COMPOSITION AND MOLDED ARTICLE THEREOF Polyplastics Co., Ltd. (JP) 2006-08-09 EP disclosed