SCHEMBL18535532

SCHEMBL18535532

C=CC(=O)OC(C)(C)CC(C)(C)Oc1ccc2cc(-c3c(C)cc(C)cc3C)c(=O)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 6/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
SRD5A1 P18405 1/20 0.38
GLA P06280 5/20 0.37
GAA P10253 5/20 0.37
MAOB P27338 5/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL18535661 0.86 RAB9A (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL21116509 0.85 RXFP1 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18535462 0.83 KDM4E (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18583698 0.83 STS (0.48) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18535472 0.81 KDM4E (0.37) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18535504 0.81 TP53 (0.48) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18535452 0.81 MAOB (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18535533 0.81 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL24595652 0.79 THRB (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18583382 0.79 STS (0.40) NPC1RAB9AKDM4EALDH1A1HPGD

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-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed
EP-3133065-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 EP disclosed