SCHEMBL7377229

SCHEMBL7377229

CC(C)C[C@@H](C(=O)O)[C@@H](Sc1ccc2ccccc2n1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 9/20 0.55
▸ RXFP1 Q9HBX9 6/20 0.55
▸ PRNP P04156 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPK10 P53779 2/20 0.55
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ADAM17 P78536 3/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ ATM Q13315 2/20 0.37
▸ POLB P06746 3/20 0.37
▸ RECQL P46063 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL7412581 0.82 ADAM17 (0.48) NPSR1ALDH1A1KMT2AMEN1ADAM17
SCHEMBL7415261 0.82 ADAM17 (0.48) NPSR1ALDH1A1KMT2AMEN1ADAM17
SCHEMBL6943322 0.82 ADAM17 (0.48) NPSR1ALDH1A1KMT2AMEN1ADAM17
SCHEMBL7414486 0.81 POLB (0.46) ALDH1A1KDM4EHPGDKMT2ARAB9A
SCHEMBL7412762 0.75 NPSR1 (0.43) NPSR1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7413535 0.75 NPSR1 (0.43) NPSR1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7412502 0.72 ADAM17 (0.52) ADAM17
SCHEMBL7419531 0.71 ADAM17 (0.56) ALDH1A1KDM4EHPGDADAM17L3MBTL1
SCHEMBL1613316 0.71 RXFP1 (0.69) NPSR1RXFP1PRNPALDH1A1KDM4E
SCHEMBL7411846 0.70 ADAM17 (0.42) NPSR1ALDH1A1KMT2AADAM17MAPT

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
WO-1997042168-A1 THIO DERIVATIVES OF HYDROXAMIC ACIDS ZENECA LIMITED (GB) 1997-11-13 — — WO disclosed
Send feedback