SCHEMBL9345382

SCHEMBL9345382

COC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.53
ANPEP P15144 1/20 0.53
ALDH1A1 P00352 4/20 0.49
CCR5 P51681 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
ACE P12821 2/20 0.46
FKBP1A P62942 1/20 0.45
GAA P10253 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL9346531 0.83 LMNA (0.51) MMP2ANPEPALDH1A1CCR5LMNA
SCHEMBL10508472 0.79 ACE (0.62) ALDH1A1LMNARAB9ASMN1; SMN2PKM
SCHEMBL10508467 0.79 ACE (0.62) ALDH1A1LMNARAB9ASMN1; SMN2PKM
SCHEMBL9814479 0.76 ACE (0.58) ALDH1A1LMNARAB9ASMN1; SMN2PKM
SCHEMBL178991 0.75 ALDH1A1 (0.52) ALDH1A1CCR5SMN1; SMN2GAA
SCHEMBL8828176 0.73 KDM4E (0.55) MMP2ANPEPALDH1A1LMNAL3MBTL1
SCHEMBL11494753 0.73 ALDH1A1 (0.55) ALDH1A1LMNARAB9ASMN1; SMN2PKM
SCHEMBL15458921 0.73 ITGB1 (0.41) ALDH1A1CCR5
SCHEMBL10508327 0.73 ACE (0.60) RAB9AL3MBTL1MAPK1ACEFKBP1A
SCHEMBL10508329 0.73 ACE (0.60) RAB9AL3MBTL1MAPK1ACEFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333522-B1 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS (JP) 1994-08-17 EP disclosed
US-5232923-A Stimulates production of nerve growth factor; administering for treatment of regressive disorders of the central nervous system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-08-03 US disclosed
EP-0333522-A2 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-20 EP disclosed