SCHEMBL6771600

SCHEMBL6771600

CCCC[Sn](CCCC)(CCCC)c1cccc(OCCCCNc2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.44
ITGA5 P08648 3/20 0.44
ITGB3 P05106 11/20 0.42
ITGAV P06756 11/20 0.42
ITGB5 P18084 4/20 0.42
ITGB6 P18564 2/20 0.42
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ITGA2B P08514 2/20 0.37
ALOX12 P18054 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6768600 0.76 HTT (0.50) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL30449687 0.75 CYP2C19 (0.59) ITGB3ITGAVCYP2C19ALOX12CYP1A2
SCHEMBL515358 0.75 CYP2C19 (0.59) ITGB3ITGAVCYP2C19ALOX12CYP1A2
SCHEMBL15923432 0.74 ALOX12 (0.52) ITGB1ITGB3ITGAVITGB5ITGB6
SCHEMBL10606557 0.73 ALOX12 (0.60) CYP2C19ALOX12CYP1A2
SCHEMBL7447683 0.73 ALOX12 (0.60) CYP2C19ALOX12CYP1A2
SCHEMBL1573818 0.73 ALOX12 (0.60) CYP2C19ALOX12CYP1A2
SCHEMBL10607875 0.73 ALOX12 (0.60) CYP2C19ALOX12CYP1A2
SCHEMBL31066860 0.73 ALOX12 (0.60) CYP2C19ALOX12CYP1A2
SCHEMBL31066872 0.73 ALOX12 (0.60) CYP2C19ALOX12CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed