SCHEMBL14980951

SCHEMBL14980951

COc1ccc(C(=O)C2(O)CCCCC2C(=O)N2CCC(C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 4/20 0.49
KMT2A Q03164 2/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.41
CNR2 P34972 1/20 0.41
HSD11B1 P28845 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
SCHEMBL3315409 0.93 ALDH1A1 (0.47) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL17296896 0.91 ALDH1A1 (0.54) HPGDALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL3320774 0.88 ALDH1A1 (0.43) HPGDALDH1A1POLBSMN1; SMN2GAA
SCHEMBL3317429 0.87 ALDH1A1 (0.41) HPGDALDH1A1POLBSMN1; SMN2GAA
SCHEMBL13417396 0.86 SMN1; SMN2 (0.44) HPGDALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL3315274 0.80 MAPK1 (0.45) ALDH1A1GAAEPHX2CNR2
SCHEMBL17296893 0.79 ATM (0.53) ALDH1A1POLBKMT2ASMN1; SMN2EPHX2
SCHEMBL14980948 0.79 NPC1 (0.46) ALDH1A1POLBEPHX2CNR2
SCHEMBL14980935 0.77 PLK1 (0.44) HPGDALDH1A1POLBKMT2AEPHX2
SCHEMBL17296899 0.76 MEN1 (0.46) HPGDALDH1A1KMT2ASMN1; SMN2TSHR

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
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed