SCHEMBL21777709

SCHEMBL21777709

O=C(O)CN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.50
PTGS2 P35354 8/20 0.50
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MGLL Q99685 7/20 0.45

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
SCHEMBL25586130 0.83 PTGS1 (0.58) PTGS1PTGS2LMNAMGLLFAAH
Acetic Acid SCHEMBL1827504 0.82 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C19BLM
SCHEMBL20087403 0.81 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C19BLM
SCHEMBL44144 0.81 MGLL (0.59) PTGS1PTGS2LMNABLMPMP22
SCHEMBL8439196 0.80 PTGS1 (0.58) PTGS1PTGS2LMNATDP1KDM4E
SCHEMBL20087373 0.80 PTGS1 (0.38) PTGS1PTGS2LMNATDP1KDM4E
SCHEMBL21652478 0.80 CA1 (0.47) PTGS1PTGS2LMNATDP1KDM4E
SCHEMBL21652514 0.80 CA1 (0.47) PTGS1PTGS2LMNATDP1KDM4E
Hydrochloric Acid SCHEMBL1535392 0.79 MGLL (0.56) PTGS1PTGS2LMNABLMPMP22
SCHEMBL20087397 0.79 PTGS1 (0.45) PTGS1PTGS2LMNACYP2C19BLM

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
EP-3844188-A1 ANTI-CD3 ANTIBODY FOLATE BIOCONJUGATES AND THEIR USES Ambrx, Inc. (US) 2021-07-07 EP disclosed
WO-2020047176-A1 ANTI-CD3 ANTIBODY FOLATE BIOCONJUGATES AND THEIR USES AMBRX, INC. (US) 2020-03-05 WO disclosed