SCHEMBL6955388

SCHEMBL6955388

CCOC(C)(Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1)C(=O)NC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
HTT P42858 4/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 3/20 0.54
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.51
RECQL P46063 1/20 0.48
MAPK10 P53779 1/20 0.48
TP53 P04637 2/20 0.46

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
SCHEMBL6949189 0.88 MAPK1 (0.57) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6947078 0.85 SMN1; SMN2 (0.63) MAPK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6950757 0.85 TNF (0.45) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6956124 0.82 ACKR3 (0.50) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6952404 0.79 TNF (0.46) HTTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6957101 0.78 L3MBTL1 (0.45) MAPK1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL6947610 0.77 MAPK1 (0.56) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6956589 0.76 MAPK1 (0.58) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6953399 0.75 SMN1; SMN2 (0.66) HTTLMNANPSR1SMN1; SMN2MEN1
SCHEMBL6955348 0.75 MAPK1 (0.63) MAPK1HTTLMNANPSR1SMN1; SMN2

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