SCHEMBL8219255

SCHEMBL8219255

O=C(N[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)c(I)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.51
ITGA2B P08514 9/20 0.51
ITGAV P06756 1/20 0.49
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
TACR1 P25103 2/20 0.47
TYR P14679 1/20 0.47
CTSK P43235 1/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL18114620 0.90 ITGB3 (0.53) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL7263023 0.88 CTSL (0.46) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL14562452 0.88 ITGA4 (0.56) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL14562475 0.88 ITGA4 (0.56) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL8586541 0.84 FOLH1 (0.58) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL7258215 0.82 NR1I2 (0.56) PPARGALOX15
SCHEMBL11747900 0.82 ITGB3 (0.65) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL9157537 0.82 ITGB3 (0.65) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL9636970 0.82 ITGB3 (0.65) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL8582379 0.82 CTSL (0.55) ITGB3ITGA2BITGAVCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed