SCHEMBL7300832

SCHEMBL7300832

O=C(NCC(=O)N1CCC[C@H]1C(=O)C[S+]([O-])c1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.59
ACE P12821 1/20 0.47
ALDH1A1 P00352 1/20 0.45
FKBP1A P62942 6/20 0.45
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
FAP Q12884 2/20 0.41
CTRB1 P17538 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
SCHEMBL7300843 1.00 PREP (0.59) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL7272783 0.84 PREP (0.66) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL11764594 0.83 PREP (0.71) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL2228388 0.83 PREP (0.71) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL2082597 0.82 PREP (0.69) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL11033242 0.81 PREP (0.68) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL9518270 0.81 PREP (0.68) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL7304424 0.81 PREP (0.59) PREPKMT2ACYP3A4MAPTCYP2C9
SCHEMBL7296585 0.81 PREP (0.59) PREPKMT2ACYP3A4MAPTCYP2C9
SCHEMBL7404507 0.81 PREP (0.59) PREPKMT2ACYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP claimed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed