SCHEMBL9679759

SCHEMBL9679759

O=C(O)CCCC(=O)NCCCc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.71
LMNA P02545 1/20 0.66
TSHR P16473 1/20 0.66
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
HCAR2 Q8TDS4 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
ATM Q13315 1/20 0.51
EPHX1 P07099 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
MC4R P32245 1/20 0.51
MC5R P33032 1/20 0.51
MC3R P41968 1/20 0.51

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
SCHEMBL16728220 0.88 L3MBTL1 (0.68) CYP1A2LMNATSHRHDAC1HDAC8
SCHEMBL8355337 0.84 LMNA (0.91) LMNATSHRHDAC1HDAC8L3MBTL1
SCHEMBL2318140 0.84 CYP1A2 (1.00) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6
SCHEMBL30061865 0.84 CYP1A2 (1.00) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6
SCHEMBL5638276 0.82 CYP1A2 (0.90) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6
SCHEMBL10439619 0.81 CYP1A2 (0.87) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6
SCHEMBL10439620 0.81 CYP1A2 (0.87) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6
SCHEMBL2107915 0.81 CYP1A2 (0.87) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6
SCHEMBL2536989 0.81 CYP1A2 (0.87) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6
SCHEMBL10439755 0.81 CYP1A2 (0.87) CYP1A2HDAC1HDAC8SMN1; SMN2CYP2D6

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-0515140-A1 Amide esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-25 EP disclosed
US-5118677-A For treating transplant rejection, host vs. draft disease, autoimmune diseases and inflammations; antibody inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed