SCHEMBL21026336

SCHEMBL21026336

O=c1n(CCCC2CO2)c(=O)n(CCC[C@H]2CO2)c(=O)n1CCCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
HBB P68871 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.32
MEN1 O00255 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
SCHEMBL8580238 1.00 TP53 (0.54) TP53HBBSMN1; SMN2ALDH1A1DHFR
SCHEMBL21991221 1.00 TP53 (0.54) TP53HBBSMN1; SMN2ALDH1A1DHFR
SCHEMBL24855261 0.96 TP53 (0.50) TP53HBBSMN1; SMN2ALDH1A1DHFR
SCHEMBL17153972 0.96 TP53 (0.50) TP53HBBSMN1; SMN2ALDH1A1DHFR
SCHEMBL8577891 0.93 TP53 (0.52) TP53HBBSMN1; SMN2ALDH1A1DHFR
SCHEMBL12047488 0.92 TP53 (0.47) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL17153973 0.92 TP53 (0.47) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL20495995 0.91 TP53 (0.50) TP53HBBSMN1; SMN2ALDH1A1DHFR
SCHEMBL20495997 0.91 TP53 (0.50) TP53HBBSMN1; SMN2ALDH1A1DHFR
SCHEMBL10329459 0.91 TP53 (0.50) TP53HBBSMN1; SMN2ALDH1A1DHFR

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
EP-2530524-B1 POSITIVE-TYPE RESIST COMPOSITION AND METHOD FOR PRODUCING MICROLENS NISSAN CHEMICAL CORP (JP) 2019-05-29 EP disclosed