SCHEMBL21996541

SCHEMBL21996541

COC(=O)C1C(OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.57
GPR119 Q8TDV5 1/20 0.44
STS P08842 1/20 0.43
FKBP1A P62942 1/20 0.43
YAP1 P46937 2/20 0.42
HTT P42858 1/20 0.42
KLK5 Q9Y337 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSL P07711 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL16943519 1.00 KLK7 (0.57) KLK7GPR119STSFKBP1AYAP1
SCHEMBL16943520 1.00 KLK7 (0.57) KLK7GPR119STSFKBP1AYAP1
SCHEMBL1150828 0.90 KLK7 (0.55) KLK7GPR119STSMEN1KMT2A
SCHEMBL7698816 0.90 KLK7 (0.55) KLK7GPR119STSMEN1KMT2A
SCHEMBL16732580 0.90 KLK7 (0.55) KLK7GPR119STSMEN1KMT2A
SCHEMBL7511892 0.90 KLK7 (0.55) KLK7GPR119STSMEN1KMT2A
SCHEMBL10035703 0.88 KLK7 (0.53) KLK7GPR119STSYAP1MEN1
SCHEMBL24589437 0.87 KLK7 (0.53) KLK7FKBP1AHTTKLK5NPC1
SCHEMBL10628988 0.86 KLK7 (0.51) KLK7GPR119STSFKBP1AKLK5
SCHEMBL23270771 0.86 HTT (0.45) KLK7FKBP1AHTTKLK5NPC1

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
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 WO disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 WO disclosed