SCHEMBL7103875

SCHEMBL7103875

CC1(C)[C@@H](C(=O)N[C@@H](Cc2cn(Cc3ccc(Cl)cc3)cn2)C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRHR P34981 2/20 0.41
TRHDE Q9UKU6 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
CPB2 Q96IY4 5/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
CPB1 P15086 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7103872 1.00 TRHR (0.41) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7099203 0.93 TRHR (0.48) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7099205 0.93 TRHR (0.48) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7099517 0.92 TRHDE (0.40) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7099521 0.92 TRHDE (0.40) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7099085 0.91 NPSR1 (0.43) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7099084 0.91 NPSR1 (0.43) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7103890 0.89 NPSR1 (0.36) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7103893 0.89 NPSR1 (0.36) TRHRTRHDENPSR1MEN1KMT2A
SCHEMBL7098260 0.88 TRHR (0.39) TRHRTRHDENPSR1MEN1KMT2A

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-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed