SCHEMBL27906372

SCHEMBL27906372

O=C1CC(C(=O)OC(=O)O)NC(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
CAD P27708 1/20 0.31

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
SCHEMBL27972485 0.84 RGS12 (0.31)
SCHEMBL10479238 0.80 KMT2A (0.46)
Dihydroorotate SCHEMBL417324 0.79 CAD (0.43) ITGB3ITGB2ITGB1ITGAVITGA2B
Dihydroorotate SCHEMBL29901858 0.79 CAD (0.43) ITGB3ITGB2ITGB1ITGAVITGA2B
Dihydroorotate SCHEMBL758070 0.79 CAD (0.43) ITGB3ITGB2ITGB1ITGAVITGA2B
Dihydroorotate SCHEMBL121953 0.79 CAD (0.43) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL11048053 0.73 ALDH1A1 (0.36)
SCHEMBL23182639 0.73 CRBN (0.38) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL14528005 0.73 CRBN (0.38) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL10479260 0.73 CRBN (0.33) ITGB3ITGB2ITGB1ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102864196-B Method for preparing alpha-aspartyl small peptide by dihydroorotic acid enzyme method NANJING UNIVERSITY OF TECHNOLOGY 2014-07-02 CN disclosed
CN-102864196-A Method for preparing alpha-aspartyl small peptide by dihydroorotic acid enzyme method NANJING UNIVERSITY OF TECHNOLOGY 2013-01-09 CN disclosed