SCHEMBL9727576

SCHEMBL9727576

O=C(CCc1ccc(F)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.66
ICAM1 P05362 4/20 0.66
ITGAL P20701 4/20 0.66
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ACE P12821 4/20 0.60
ALOX15 P16050 1/20 0.58
ERAP2 Q6P179 2/20 0.57
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PPARG P37231 1/20 0.56
HCRTR1 O43613 1/20 0.56

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
SCHEMBL9727891 1.00 ITGB2 (0.66) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL2959306 0.92 ALOX15 (0.64) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL2956712 0.92 ALOX15 (0.64) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL28587519 0.92 ALOX15 (0.64) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL9728039 0.91 ITGB2 (0.56) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL15143015 0.89 ITGB2 (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL15145377 0.87 ALOX15 (0.58) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL15145396 0.87 KMT2A (0.74) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL1233383 0.86 KMT2A (0.68) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL1233499 0.86 KMT2A (0.68) ITGB2ICAM1ITGALMEN1KMT2A

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed