SCHEMBL11068495

SCHEMBL11068495

CC(C)[C@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 2/20 0.54
FFAR1 O14842 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
HIF1A Q16665 1/20 0.54
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
SDCBP O00560 3/20 0.51
SDC2 P34741 3/20 0.51
GAA P10253 1/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MMP2 P08253 2/20 0.48

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
SCHEMBL11061055 0.91 FNTA (0.53) SMN1; SMN2LMNAHPGDL3MBTL1MAPT
SCHEMBL11067559 0.86 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
SCHEMBL11068039 0.84 MAPK1 (0.53) RAB9ALMNACYP1A2HPGDKMT2A
SCHEMBL11068391 0.84 SDCBP (0.64) KMT2AMEN1SDCBPSDC2FNTA
Biphenyl SCHEMBL27677177 0.82 FNTA (0.53) SMN1; SMN2RAB9ALMNAHPGDL3MBTL1
SCHEMBL11068121 0.82 MMP1 (0.61) SMN1; SMN2RAB9ALMNAKMT2AMAPT
Biphenyl SCHEMBL27698554 0.80 FNTA (0.51) SMN1; SMN2LMNAHPGDSDCBPSDC2
SCHEMBL4760256 0.79 DGAT1 (0.62) RAB9ALMNAGAAMMP2MMP3
SCHEMBL1750357 0.79 DGAT1 (0.62) RAB9ALMNAGAAMMP2MMP3
SCHEMBL7361586 0.78 ALDH1A1 (0.67) SMN1; SMN2LMNAHPGDKMT2AMAPT

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
US-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed