SCHEMBL8994567

SCHEMBL8994567

CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)C(CCCCc1ccc(OC)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.47
ACE P12821 3/20 0.46
LMNA P02545 1/20 0.44
MMP13 P45452 2/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
ADAM17 P78536 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
SCHEMBL8994570 1.00 FKBP1A (0.47) FKBP1AACELMNAMMP13MMP8
SCHEMBL7282610 0.90 FKBP1A (0.48) FKBP1AACEMMP13MMP8MMP12
SCHEMBL7282612 0.90 FKBP1A (0.48) FKBP1AACEMMP13MMP8MMP12
SCHEMBL9289142 0.89 ACE (0.54) ACELMNASMN1; SMN2
SCHEMBL8994547 0.89 ACE (0.54) ACELMNASMN1; SMN2
SCHEMBL8994535 0.84 ACE (0.44) FKBP1AACELMNASMN1; SMN2
SCHEMBL8994542 0.84 ACE (0.44) FKBP1AACELMNASMN1; SMN2
SCHEMBL9247684 0.84 ACE (0.44) FKBP1AACELMNASMN1; SMN2
SCHEMBL7324514 0.80 DPP4 (0.42) FKBP1AMMP13MMP8MMP12
SCHEMBL7285065 0.79 DPP4 (0.41) FKBP1AACE

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
US-5545657-A 1-ALKYLOYLPYRROLIDIN-2-YLOXOALKANOIC ACIDS AND DERIVATIVES; ANTIAMNESIA AGENTS; INHIBITORS OF PROLYL ENDOPEPTIDASE; SUPPRESSION OF NEUROTRANSMITTER METABOLISM ONO PHARMACEUTICAL CO., LTD. (JP) 1996-08-13 US disclosed
US-5451604-A Useful in organ transplant surgery G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5411974-A Thiazoline derivatives, treatment of amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
US-5212191-A Thiazoline derivatives for treatment of amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed