SCHEMBL6952008

SCHEMBL6952008

CCSC(Cc1ccc(CCCn2c(=O)oc3ccccc3c2=O)cc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.41
HDAC1 Q13547 1/20 0.40
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ASAH1 Q13510 2/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL6949553 0.91 HTR1A (0.44) HTR1AHDAC1MAPK1ALDH1A1LMNA
SCHEMBL6947338 0.83 HDAC1 (0.42) HTR1AHDAC1MAPK1ASAH1MAPT
SCHEMBL6953729 0.81 HTR1A (0.40) HTR1AHDAC1ALDH1A1LMNAASAH1
SCHEMBL6952009 0.80 HTR1A (0.42) HTR1AHDAC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL6952640 0.78 HTR1A (0.44) HTR1AHDAC1MAPK1ALDH1A1LMNA
SCHEMBL6957394 0.76 PPARG (0.44) HTR1A
SCHEMBL6956944 0.74 HDAC1 (0.41) HTR1AHDAC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL6953855 0.71 HTR1A (0.43) HTR1AHDAC1MAPK1ALDH1A1LMNA
SCHEMBL6951749 0.70 HTR1A (0.40) HTR1AHDAC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14565141 0.69 HTR1A (0.67) HTR1AALDH1A1TSHRHPGDNPSR1

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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed