SCHEMBL26849892

SCHEMBL26849892

CN(C)c1ccc2c(c1)OC1=CC(N(C)C)C=CC1=C2c1cc(C(=O)NCCCOCC(O)CO)ccc1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL23308017 0.79 GBA1 (0.34) RAB9A
SCHEMBL18441261 0.77 KMT2A (0.31) POLBKMT2A
SCHEMBL18503779 0.75 SLC16A3 (0.31) POLBKMT2A
SCHEMBL24784397 0.74 TDP1 (0.30) —
SCHEMBL23308053 0.73 HSPA5 (0.34) —
SCHEMBL24596665 0.72 HDAC1 (0.30) —
SCHEMBL14452143 0.71 POLB (0.33) TP53HPGDHTTPOLB
SCHEMBL26853342 0.69 P2RY6 (0.55) KMT2A
SCHEMBL28927109 0.68 HSP90AA1 (0.45) —
Ammonia Solution, Strong SCHEMBL28927089 0.68 HSP90AA1 (0.45) —

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-20230366885-A1 DNA CONSTRUCTS, RECOMBINANT CELLS COMPRISING THEREOF, BACTERIAL PROBES, METHODS FOR THEIR PREPARATION, AND METHOD OF USING THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-16 — — US disclosed
Send feedback