SCHEMBL27586366

SCHEMBL27586366

O=C1CN(OC(=O)Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
PAM P19021 1/20 0.47
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL27616224 0.89 KMT2A (0.46) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL28204506 0.81 ALDH1A1 (0.50) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL1222681 0.79 KMT2A (0.49) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL2450503 0.77 KMT2A (0.57) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL28781903 0.77 ALDH1A1 (0.59) KMT2AMAPK1ALDH1A1L3MBTL1PAM
SCHEMBL27623792 0.77 ALDH1A1 (0.46) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL21590286 0.77 NPC1 (0.48) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL27620056 0.74 CYP2D6 (0.47) KMT2AMAPK1ALDH1A1L3MBTL1PAM
SCHEMBL9340889 0.74 MAPK1 (0.50) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL28756463 0.73 TSHR (0.44) KMT2AMAPK1HPGDALDH1A1L3MBTL1

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
CN-1420881-A Beta-amino acid derivs. as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL MYERS SQUIBB PHARMACEU (US) 2003-05-28 CN disclosed