SCHEMBL30112567

SCHEMBL30112567

O=C(NCCOCCOCCCCCCCl)c1ccc2c(c1)C1(OC2=O)c2ccc(N3CC(C(=O)O)C3)cc2Oc2cc(N3CC(C(=O)O)C3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.40
▸ RORC P51449 1/20 0.37
▸ TTR P02766 1/20 0.35
▸ ALB P02768 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ NAALAD2 Q9Y3Q0 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ GSTP1 P09211 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ F10 P00742 2/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ITPR3 Q14573 1/20 0.32

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
SCHEMBL24942508 1.00 NT5E (0.40) NT5ERORCTTRALBOPRM1
SCHEMBL30112650 0.94 NT5E (0.39) NT5ERORCTTRALBOPRM1
SCHEMBL24942980 0.94 NT5E (0.39) NT5ERORCTTRALBOPRM1
SCHEMBL24942978 0.93 NT5E (0.39) NT5ERORCTTRALBOPRM1
SCHEMBL30112627 0.93 NT5E (0.39) NT5ERORCTTRALBOPRM1
SCHEMBL18526322 0.91 NT5E (0.41) NT5ERORCTTROPRM1HDAC6
SCHEMBL24942966 0.91 NT5E (0.39) NT5ERORCTTROPRM1FOLH1
SCHEMBL30112803 0.91 NT5E (0.39) NT5ERORCTTROPRM1FOLH1
SCHEMBL30112798 0.91 NT5E (0.39) NT5ERORCTTROPRM1FOLH1
SCHEMBL18526325 0.89 NT5E (0.40) NT5ERORCTTRALBOPRM1

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-4377311-A1 2-DIAZO-3-OXO-2,3-DIHYDROSPIRO[INDENE-1,9'-XANTHENE] DERIVATIVES AND SIMILAR COMPOUNDS AS PHOTOACTIVE FLUORESCENT COMPOUNDS FOR PROTEIN LABELING Eikon Therapeutics Inc. (US) 2024-06-05 — — EP disclosed
WO-2023009503-A1 2-DIAZO-3-OXO-2,3-DIHYDROSPIRO[INDENE-1,9'-XANTHENE] DERIVATIVES AND SIMILAR COMPOUNDS AS PHOTOACTIVE FLUORESCENT COMPOUNDS FOR PROTEIN LABELING EIKON THERAPEUTICS INC. (US) 2023-02-02 — — WO disclosed
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