SCHEMBL7745771

SCHEMBL7745771

O=C(NC(CO)CO)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 9/20 0.57
MICA Q29983 9/20 0.57
RAET1L Q5VY80 7/20 0.57
GAA P10253 1/20 0.56
MTTP P55157 7/20 0.53
TRPV1 Q8NER1 1/20 0.48
ADAMTS7 Q9UKP4 1/20 0.47

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
SCHEMBL13485786 0.81 GAA (0.59) KLRK1MICARAET1LGAAMTTP
SCHEMBL6850836 0.80 GAA (0.61) KLRK1MICARAET1LGAAMTTP
SCHEMBL20665433 0.80 GAA (0.57) KLRK1MICARAET1LGAAMTTP
SCHEMBL31393757 0.77 CHRNB2 (0.71) GAAMTTP
SCHEMBL14205318 0.77 GAA (0.61) KLRK1MICARAET1LGAAMTTP
SCHEMBL14205317 0.76 GAA (0.60) KLRK1MICARAET1LGAAMTTP
Xenalipin SCHEMBL133087 0.76 CYP2C8 (0.58) KLRK1MICARAET1LGAAMTTP
Xenalipin SCHEMBL29881739 0.76 CYP2C8 (0.58) KLRK1MICARAET1LGAAMTTP
SCHEMBL23796094 0.75 PIN1 (0.47) MTTPTRPV1
SCHEMBL6789828 0.75 PTGS1 (0.58) GAAMTTPTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039915-A4 CYCLIC PHOSPHONATE ESTER INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2001-02-14 EP disclosed
EP-1039915-A1 CYCLIC PHOSPHONATE ESTER INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-04 EP disclosed
WO-1999021564-A1 CYCLIC PHOSPHONATE ESTER INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-06 WO disclosed