SCHEMBL24595667

SCHEMBL24595667

C=C(C)C(=O)OC(C)(C)CC(C)(C)Oc1ccc2cc(-c3cccc(C(CC)CCCCC)c3)c(=O)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
KLK7 P49862 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GAPDH P04406 2/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL18535545 0.85 NPC1 (0.47) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL24595685 0.82 TP53 (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL21524283 0.81 NPC1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18535547 0.76 MIF (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL24595604 0.75 GAPDH (0.46) NPC1RAB9AGAPDHMAOBACHE
SCHEMBL21116040 0.75 MAOB (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL21116065 0.74 MAOB (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18535449 0.73 MAOB (0.35) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18583386 0.73 MAOB (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18535455 0.73 MAOB (0.34) NPC1RAB9AMEN1KMT2AKDM4E

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-4327779-A2 SYSTEM AND METHOD AMO Ireland (IE) 2024-02-28 EP disclosed
EP-3958788-B1 SYSTEM AND METHOD AMO Ireland (IE) 2023-11-22 EP disclosed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed