Sugi Predict

Sugi Predict / Compounds / SCHEMBL7841830

SCHEMBL7841830

SCHEMBL7841830

C[C@@H](C(=O)O)N(C)C1CCCC(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ TSHR P16473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL200642 0.81 ALDH1A1 (0.37) TSHR
SCHEMBL200643 0.81 ALDH1A1 (0.37) TSHR
SCHEMBL158232 0.80 ALDH1A1 (0.40) TSHR
Hydrochloric Acid SCHEMBL5204062 0.80 ALDH1A1 (0.36) —
SCHEMBL555055 0.80 ALDH1A1 (0.40) TSHR
SCHEMBL7658314 0.77 BTK (0.42) ANPEPBTKTSHRACEEPHX2
SCHEMBL23275897 0.77 TP53 (0.33) —
SCHEMBL23275898 0.77 TP53 (0.33) —
SCHEMBL22967525 0.71 ACE (0.39) BTKTSHRACE
SCHEMBL10046703 0.71 ACE (0.39) BTKTSHRACE

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
EP-0923287-A4 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES LILLY CO ELI (US) 2001-08-01 — — EP disclosed
EP-0923287-A1 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1999-06-23 — — EP disclosed
WO-1998008382-A1 NONCLASSICAL PYRROLO[2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1998-03-05 — — WO disclosed