SCHEMBL8538779

SCHEMBL8538779

COc1ccccc1C=C(C(=O)O)c1cccc(NC2=NCCCN2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.59
ITGAV P06756 18/20 0.59
ITGA2B P08514 18/20 0.59
ITGB1 P05556 10/20 0.58
ITGB5 P18084 10/20 0.58
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8541005 0.83 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6225428 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL30073956 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538784 0.77 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7496449 0.74 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7496458 0.74 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537894 0.74 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537499 0.73 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537870 0.73 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379360 0.73 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed