SCHEMBL5690759

SCHEMBL5690759

COC(=O)N1CCC(C(=O)Nc2ccc(C[C@@H](C(=O)O)N(C(=O)C3CS(=O)(=O)CCN3)S(=O)(=O)c3ccc(C)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL5690689 0.94 PTPN2 (0.43) TRPV1ALDH1A1GAAMAPTKMT2A
SCHEMBL5691009 0.93 MAPT (0.40) TRPV1ALDH1A1GAAMAPTPOLB
SCHEMBL5690598 0.89 MAPT (0.37) TRPV1ALDH1A1GAAMAPTPOLB
SCHEMBL5690785 0.83 ENPP3 (0.36) TRPV1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL5691919 0.82 MAPT (0.36) TRPV1ALDH1A1GAAMAPTPOLB
SCHEMBL5690856 0.81 ENPP3 (0.35) TRPV1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL7069483 0.80 NPSR1 (0.41) ALDH1A1GAAMAPTKMT2A
SCHEMBL3868793 0.80 CYP2C9 (0.43) ALDH1A1GAASMN1; SMN2CYP2C19KMT2A
SCHEMBL5691489 0.80 ENPP3 (0.36) TRPV1ALDH1A1MAPTPOLBTP53
SCHEMBL7510017 0.79 KDM1A (0.35) ALDH1A1MAPTPOLBTDP1KMT2A

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-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP claimed