SCHEMBL8345250

SCHEMBL8345250

O=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.72
CYP2D6 P10635 2/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KLKB1 P03952 2/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP30 Q70CQ3 4/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL7762765 1.00 CAPN1 (0.72) CAPN1CYP2D6MAPTMEN1KMT2A
SCHEMBL7762773 1.00 CAPN1 (0.72) CAPN1CYP2D6MAPTMEN1KMT2A
SCHEMBL7209524 0.88 CAPN1 (0.59) CAPN1
SCHEMBL7209529 0.88 CAPN1 (0.59) CAPN1
SCHEMBL7763979 0.85 CAPN1 (0.77) CAPN1CYP2D6MAPTMEN1KMT2A
SCHEMBL7762727 0.85 FCER2 (0.56) CAPN1
SCHEMBL7762736 0.85 FCER2 (0.56) CAPN1
SCHEMBL8344939 0.85 FCER2 (0.56) CAPN1
SCHEMBL16445069 0.84 CAPN1 (1.00) CAPN1MAPTCYP3A4CYP2C19LMNA
SCHEMBL7765729 0.83 CAPN1 (0.52) CAPN1

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
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed