SCHEMBL6768600

SCHEMBL6768600

Brc1cccc(OCCCCNc2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ITGB1 P05556 4/20 0.49
ITGA5 P08648 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NOS1 P29475 1/20 0.48
HMOX2 P30519 1/20 0.48
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
ITGB5 P18084 2/20 0.44
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB6 P18564 1/20 0.43

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
SCHEMBL6771544 0.80 ITGB1 (0.51) L3MBTL1ITGB1ITGA5KDM4EALDH1A1
SCHEMBL7029988 0.78 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL10861718 0.77 CYP1A2 (0.66) KDM4EALDH1A1ITGB3ITGAVCYP1A2
SCHEMBL6771600 0.76 ITGB1 (0.44) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL10858528 0.75 CYP1A2 (0.63) KDM4EALDH1A1ITGB3ITGAVCYP1A2
SCHEMBL2801030 0.75 MAOB (0.60) HTTRAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL9644591 0.75 CYP1A2 (0.63) KDM4EALDH1A1ITGB3ITGAVCYP1A2
SCHEMBL6472975 0.74 CYP1A2 (0.55) RAB9AKDM4EALDH1A1CYP1A2MAPT
SCHEMBL6771776 0.74 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL7162438 0.74 MAOB (0.62) HTTRAB9AL3MBTL1KDM4EALDH1A1

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