SCHEMBL15226106

SCHEMBL15226106

[CH2]C(=O)c1ccc(OC)cc1F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 15/20 0.61
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL29639738 0.83 ALDH1A1 (0.65) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL531399 0.83 ALDH1A1 (0.65) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL1051747 0.83 CPS1 (0.63) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL1003506 0.82 CPS1 (0.58) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL9328578 0.82 HPGD (0.58) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL1554929 0.81 CPS1 (0.61) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL72082 0.81 CPS1 (0.61) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL1555099 0.81 CPS1 (0.61) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL28053004 0.80 CPS1 (0.59) CPS1HPGDALDH1A1MEN1LMNA
SCHEMBL2324673 0.80 CPS1 (0.59) CPS1HPGDALDH1A1MEN1LMNA

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-2004667-B1 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCED RES CO LTD (IN) 2013-09-04 EP disclosed