SCHEMBL8801733

SCHEMBL8801733

CSCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(CS)NC(C)=O)N=C(c2ccccc2)c2ccccc21)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
OXTR P30559 9/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL8801102 0.92 FNTA (0.52) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8801416 0.91 FNTA (0.64) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL29520033 0.91 FNTA (0.64) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8801488 0.88 FNTA (0.51) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8802465 0.87 FNTA (0.55) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8801337 0.86 FNTA (0.63) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL29450579 0.85 FNTA (0.74) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801922 0.85 FNTA (0.58) FNTAFNTBHDAC3HDAC1HDAC8
Tetrazole SCHEMBL8940457 0.84 FNTA (0.58) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801123 0.84 FNTA (0.59) FNTAFNTBHDAC3HDAC1HDAC8

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-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US disclosed