SCHEMBL7416686

SCHEMBL7416686

CCCCC(=O)Oc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.46
YAP1 P46937 3/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PDE4D Q08499 2/20 0.41
FAAH O00519 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
SGMS1 Q86VZ5 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
CSF1R P07333 1/20 0.40
KDR P35968 1/20 0.40
PRMT5 O14744 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 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
SCHEMBL7416559 0.83 YAP1 (0.44) GPR119YAP1ITGB3ITGA2BFAAH
SCHEMBL7413744 0.81 GPR119 (0.54) GPR119PDE4DFAAHPDE4APDE4B
SCHEMBL7415893 0.80 GPR119 (0.45) GPR119YAP1ITGB3ITGA2BFAAH
SCHEMBL7987174 0.77 YAP1 (0.53) YAP1ITGB3ITGA2B
SCHEMBL7987170 0.77 YAP1 (0.53) YAP1ITGB3ITGA2B
SCHEMBL7413671 0.75 STS (0.50) GPR119YAP1ITGB3ITGA2BFAAH
SCHEMBL24336797 0.73 YAP1 (0.66) GPR119YAP1ITGB3ITGA2B
SCHEMBL7986551 0.73 ITGB3 (0.71) YAP1ITGB3ITGA2B
SCHEMBL7292244 0.73 ITGB3 (0.71) YAP1ITGB3ITGA2B
SCHEMBL20659982 0.73 KDM4E (0.56) GPR119YAP1ITGB3ITGA2BKDM4E

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-5880136-A PREVENTING THROMBUS FORMATION MERCK & CO., INC. (US) 1999-03-09 US disclosed
US-5814643-A ANTICOAGULANTS MERCK & CO., INC. (US) 1998-09-29 US disclosed