SCHEMBL7808018

SCHEMBL7808018

CCOC(=O)C[C@H](Cc1ccc(OC)cc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB6 P18564 1/20 0.47
KMT2A Q03164 4/20 0.43
TBXAS1 P24557 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ROCK2 O75116 1/20 0.41
THRB P10828 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KCNA5 P22460 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL27509317 1.00 ITGB3 (0.47) ITGB3ITGB1ITGAVITGB6KMT2A
SCHEMBL7797656 0.88 ITGB3 (0.44) ITGB3ITGB1ITGAVITGB6KMT2A
SCHEMBL6492125 0.88 ITGB3 (0.44) ITGB3ITGB1ITGAVITGB6KMT2A
SCHEMBL6491361 0.86 ITGB3 (0.60) ITGB3ITGB1ITGAVITGB6KMT2A
SCHEMBL6491359 0.86 ITGB3 (0.60) ITGB3ITGB1ITGAVITGB6KMT2A
SCHEMBL6179834 0.86 F2 (0.53) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL27224522 0.81 MEN1 (0.44) KMT2ATBXAS1MEN1GAASMN1; SMN2
SCHEMBL27532652 0.80 F10 (0.45) GAAALDH1A1KDM4EHPGD
SCHEMBL27396676 0.79 ITGB3 (0.45) ITGB3ITGB1ITGAVITGB6KMT2A
SCHEMBL27224515 0.79 F2 (0.46) KMT2ATBXAS1MEN1GAASMN1; SMN2

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
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed