SCHEMBL11065162

SCHEMBL11065162

CC(C(=O)O)c1cc(Cl)c(N2CCOCC2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 8/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
AKR1C3 P42330 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL11165675 0.86 MAPT (0.43) MAPK1MAPTALDH1A1HTTALDH3A1
SCHEMBL11169184 0.85 ALDH1A1 (0.43) PTGS1ALDH1A1HTTRAB9ANPC1
SCHEMBL11060669 0.84 MAPK1 (0.45) CHRM1PTGS1MAPK1MAPTALDH1A1
SCHEMBL11167920 0.82 CHRM1 (0.40) CHRM1PTGS1MAPK1MAPTALDH1A1
SCHEMBL11042080 0.80 MAPK1 (0.43) MAPK1MAPTALDH1A1HTTALDH3A1
SCHEMBL11170500 0.73 MAPK1 (0.47) MAPK1MAPTALDH1A1HTTRAB9A
SCHEMBL12316376 0.72 HSP90AA1 (0.51) MAPK1MAPTALDH1A1HTTALDH3A1
SCHEMBL10957987 0.71 SMN1; SMN2 (0.51) MAPK1MAPTALDH1A1HTTALDH3A1
SCHEMBL11165251 0.70 MAPT (0.41) MAPK1MAPTALDH1A1HTTRAB9A
SCHEMBL29688382 0.70 PKM (0.42) MAPK1MAPTALDH1A1HTTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 EP claimed
US-4480106-A ANTIINFLAMMATORY AGENTS, ANALGESICS, LIGHT STABILIZERS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0078239-A2 Process for preparing asymmetrically substituted maleic-acid anhydrides, and asymmetrically substituted maleic acid anhydrides CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed