SCHEMBL8890189

SCHEMBL8890189

O=C1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.47
FOLH1 Q04609 2/20 0.46
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABCB1 P08183 1/20 0.43
HPGD P15428 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1D1 P20393 1/20 0.41

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
SCHEMBL994630 0.88 FKBP1A (0.50) FKBP1AHPGDCYP3A4CYP2C9CYP2C19
SCHEMBL26945273 0.87 FKBP1A (0.49) FKBP1APSEN1PSEN2APH1BNCSTN
SCHEMBL8863318 0.87 FKBP1A (0.49) FKBP1APSEN1PSEN2APH1BNCSTN
SCHEMBL6787776 0.81 FKBP1A (0.49) FKBP1AHPGD
SCHEMBL204506 0.81 FKBP1A (0.49) FKBP1AHPGD
SCHEMBL204505 0.81 FKBP1A (0.49) FKBP1AHPGD
SCHEMBL8863781 0.81 MMP2 (0.56) KMT2A
SCHEMBL2757477 0.80 FKBP1A (0.47) FKBP1ATDP1HPGDCYP3A4CYP2C9
SCHEMBL10137577 0.80 FKBP1A (0.47) FKBP1AHPGDCYP3A4CYP2C9CYP2C19
SCHEMBL8863381 0.80 NPSR1 (0.48) FKBP1AHPGDPSEN1PSEN2APH1B

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-0752419-A2 Process for the preparation of N-substituted 4-ketoproline derivatives Degussa Aktiengesellschaft (DE) 1997-01-08 EP disclosed