SCHEMBL7301747

SCHEMBL7301747

COC(=O)c1ccc(C(=O)N[C@H](C(=O)N(CC(=O)O)C2Cc3ccccc3C2)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.49
LMNA P02545 2/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL6266593 0.92 ELANE (0.49) ELANELMNAMEN1KMT2AALDH1A1
SCHEMBL6266596 0.92 ELANE (0.49) ELANELMNAMEN1KMT2AALDH1A1
SCHEMBL7308079 0.88 ELANE (0.53) ELANECYP3A4TSHRMEN1KMT2A
SCHEMBL7300428 0.86 ELANE (0.59) ELANELMNA
SCHEMBL8699561 0.84 ALDH1A1 (0.46) ELANELMNAMEN1KMT2AALDH1A1
SCHEMBL6266817 0.84 ALDH1A1 (0.46) ELANELMNAMEN1KMT2AALDH1A1
SCHEMBL7300078 0.84 ELANE (0.52) ELANELMNACYP3A4TSHRCYP1A2
SCHEMBL9144304 0.82 ELANE (0.47) ELANELMNACYP3A4TSHRCYP1A2
SCHEMBL6262932 0.82 TAS1R3 (0.50) ELANELMNACYP3A4CYP1A2CYP2C19
SCHEMBL6261618 0.82 ELANE (0.49) ELANELMNAMEN1KMT2AALDH1A1

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
EP-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 EP disclosed
US-5430025-A Elastase-inhibiting peptides bearing a C-terminal trifluoromethylketone moiety FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed