SCHEMBL8835975

SCHEMBL8835975

O=C(NCC(=O)C(Oc1ccccc1OC(=O)C(F)(F)F)C(=O)O)c1cc2c(s1)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGA2B P08514 10/20 0.49
PNMT P11086 2/20 0.41
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
TSHR P16473 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL8835440 0.89 ITGB3 (0.46) ITGB3ITGA2BPNMTALDH1A1USP2
Trifluoroacetic Acid SCHEMBL8836102 0.87 ITGB3 (0.51) ITGB3ITGA2BPNMTALDH1A1TPSAB1
Trifluoroacetic Acid SCHEMBL8835829 0.86 ITGB3 (0.50) ITGB3ITGA2BPNMTALDH1A1USP2
Trifluoroacetic Acid SCHEMBL8836094 0.86 ITGB3 (0.54) ITGB3ITGA2BPNMTALDH1A1TPSAB1
Trifluoroacetic Acid SCHEMBL8836101 0.84 ITGB3 (0.51) ITGB3ITGA2BPNMTALDH1A1USP2
SCHEMBL8558560 0.76 ITGB3 (0.82) ITGB3ITGA2BPNMTALDH1A1TPSAB1
Trifluoroacetic Acid SCHEMBL8836049 0.73 ITGB3 (0.49) ITGB3ITGA2BPNMTALDH1A1TPSAB1
Trifluoroacetic Acid SCHEMBL8835795 0.73 ITGB3 (0.54) ITGB3ITGA2BPNMTALDH1A1TPSAB1
SCHEMBL8554231 0.70 ITGB3 (0.63) ITGB3ITGA2BPNMTALDH1A1TPSAB1
Trifluoroacetic Acid SCHEMBL8556044 0.69 ITGB3 (0.90) ITGB3ITGA2BPNMTALDH1A1TPSAB1

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-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed