SCHEMBL18807599

SCHEMBL18807599

O=C(O)CCC(NC(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NC(CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.61
▸ ALB P02768 2/20 0.60
▸ CA9 Q16790 12/20 0.58
▸ CA1 P00915 11/20 0.58
▸ CA2 P00918 11/20 0.58
▸ CA12 O43570 6/20 0.58
▸ CA14 Q9ULX7 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ HTR3A P46098 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49

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
SCHEMBL20529844 1.00 FOLH1 (0.61) FOLH1ALBCA9CA1CA2
SCHEMBL31380586 1.00 FOLH1 (0.61) FOLH1ALBCA9CA1CA2
SCHEMBL10060089 1.00 FOLH1 (0.61) FOLH1ALBCA9CA1CA2
SCHEMBL19389433 0.96 FOLH1 (0.58) FOLH1ALBCA9CA1CA2
SCHEMBL22100260 0.95 FOLH1 (0.59) FOLH1ALBCA9CA1CA2
SCHEMBL13012837 0.93 CA9 (0.60) FOLH1ALBCA9CA1CA2
SCHEMBL24403901 0.91 FOLH1 (0.55) FOLH1ALBCA9CA1CA2
SCHEMBL20843781 0.90 FOLH1 (0.56) FOLH1ALBCA9CA1CA2
SCHEMBL17245299 0.90 FOLH1 (0.56) FOLH1ALBCA9CA1CA2
SCHEMBL13062332 0.90 CA9 (0.57) FOLH1ALBCA9CA1CA2

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-3222617-B1 PSMA-TARGETING COMPOUNDS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-07-06 — — EP disclosed
EP-3222617-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF The Johns Hopkins University (US) 2017-09-27 — — EP disclosed
EP-2408755-B1 Urea-based peptide compounds useful for detecting inter alia prostate cancer UNIV JOHNS HOPKINS (US) 2017-05-03 — — EP disclosed
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