SCHEMBL7313897

SCHEMBL7313897

CC(C)C(C(C(N)=O)n1c(-c2ccccc2)ccc(NC(=O)NCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.48
CTRC Q99895 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL7303020 0.89 ELANE (0.47) ELANECTRC
SCHEMBL7301006 0.86 ELANE (0.38) ELANECTRC
SCHEMBL7303022 0.85 ELANE (0.42) ELANECTRC
SCHEMBL7307045 0.84 ELANE (0.52) ELANECTRC
SCHEMBL7303844 0.84 ELANE (0.42) ELANEKDM4EALDH1A1LMNAHPGD
SCHEMBL7280555 0.79 ELANE (0.65) ELANECTRC
SCHEMBL8651546 0.69 ALDH1A1 (0.38) ELANEKDM4EALDH1A1LMNAPOLB
SCHEMBL7276466 0.69 ELANE (0.64) ELANECTRC
SCHEMBL9584298 0.69 ELANE (0.57) ELANECTRC
SCHEMBL9585455 0.68 ELANE (0.59) ELANECTRC

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-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed