SCHEMBL8990868

SCHEMBL8990868

COc1ccc2c(c1)S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C(=O)N(Cc1ccc(-c3ccccc3NC(=O)N3CCOCC3)cc1)C2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
BRD4 O60885 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8990940 0.95 KMT2A (0.35) KMT2ANPSR1ADRB2ADRB1ADRB3
SCHEMBL8991085 0.92 ADRB2 (0.38) KMT2ANPSR1ADRB2ADRB1ADRB3
SCHEMBL8990830 0.92 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL8990896 0.91 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHR
SCHEMBL8990996 0.90 KMT2A (0.38) KMT2ANPSR1TP53ALDH1A1KDM4E
SCHEMBL8990826 0.89 FPR1 (0.34) KMT2ANPSR1ALDH1A1KDM4ELMNA
SCHEMBL8991053 0.88 GHSR (0.33) KMT2ANPSR1MAPTFPR1FPR2
SCHEMBL8990882 0.87 ADRB2 (0.35) KMT2ANPSR1ADRB2ADRB1ADRB3
SCHEMBL8990950 0.86 ADRB2 (0.33) KMT2ANPSR1ADRB2ADRB1ADRB3
SCHEMBL8990892 0.86 ADRB2 (0.31) ADRB2ADRB1ADRB3ALDH1A1TSHR

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
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed