SCHEMBL8990778

SCHEMBL8990778

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3S[C@@H](NC(=O)CC(C)CNC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL8990995 0.95
SCHEMBL8990989 0.91 CCR3 (0.33) HDAC1HDAC7
SCHEMBL8990688 0.87 HDAC1 (0.31) SIGMAR1HDAC1HDAC7
SCHEMBL8990770 0.87 HDAC1 (0.31) SIGMAR1HDAC1HDAC7
SCHEMBL8990789 0.86 CCR3 (0.33) HDAC1HDAC7
SCHEMBL8990786 0.86 PRMT5 (0.34) HDAC1HDAC7
SCHEMBL8991154 0.85 TAS1R3 (0.32)
SCHEMBL8991036 0.84 GHSR (0.40) SIGMAR1HDAC1HDAC7
SCHEMBL8991040 0.84 GHSR (0.40) SIGMAR1HDAC1HDAC7
SCHEMBL8990987 0.83 HDAC1 (0.30) HDAC1HDAC7

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
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed