SCHEMBL10340658

SCHEMBL10340658

C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
CACNA1G O43497 1/20 0.40
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL10340660 1.00 RECQL (0.44) RECQLHPGDLMNAGAACACNA1G
SCHEMBL10340500 0.96 RECQL (0.41) RECQLHPGDLMNAGAACACNA1G
SCHEMBL10340502 0.96 RECQL (0.41) RECQLHPGDLMNAGAACACNA1G
SCHEMBL10340498 0.96 RECQL (0.41) RECQLHPGDLMNAGAACACNA1G
SCHEMBL10340323 0.93 RECQL (0.48) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL30090978 0.93 RECQL (0.48) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL10340422 0.93 RECQL (0.48) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL10340322 0.93 RECQL (0.48) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL10340448 0.93 RECQL (0.48) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL10340331 0.93 RECQL (0.48) RECQLHPGDLMNAGAAKCNQ3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904680-A IMMUNOLOGY SANKYO COMPANY, LIMITED (JP) 1990-02-27 US disclosed
EP-0173441-B1 AMINO ACID DERIVATIVES HAVING ANTI-TUMOR ACTIVITY AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1990-01-24 EP disclosed
EP-0173441-A1 Amino acid derivatives having anti-tumor activity and compositions containing them SANKYO COMPANY LIMITED (JP) 1986-03-05 EP disclosed