SCHEMBL11035437

SCHEMBL11035437

O=C1N[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC3 O15379 4/20 0.35
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC10 Q969S8 4/20 0.35
▸ HDAC11 Q96DB2 4/20 0.35
▸ HDAC8 Q9BY41 4/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ NCOR2 Q9Y618 1/20 0.33
▸ TRHR P34981 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ MME P08473 1/20 0.33

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
SCHEMBL10823690 0.84 TRHR (0.52) TRHR
SCHEMBL11005409 0.84 TRHR (0.52) TRHR
SCHEMBL11009264 0.83 TRHR (0.38) TRHR
SCHEMBL6026783 0.76 TRHR (0.46) TRHR
SCHEMBL6026780 0.76 TRHR (0.46) TRHR
SCHEMBL29405912 0.76 TRHR (0.46) TRHR
SCHEMBL27869228 0.76 TRHR (0.46) TRHR
SCHEMBL7271889 0.74 MAPT (0.42) TDP1HDAC3HDAC1HDAC10HDAC11
SCHEMBL18048894 0.73 CTSC (0.45) TSHRTRHRMMEREN
SCHEMBL18048893 0.73 CTSC (0.45) TSHRTRHRMMEREN

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-0134582-A2 Novel peptides and process for preparing the same and pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1985-03-20 — — EP disclosed
Send feedback