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SCHEMBL24403901

SCHEMBL24403901

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.55
▸ CA9 Q16790 11/20 0.55
▸ CA1 P00915 10/20 0.55
▸ CA2 P00918 10/20 0.55
▸ CA12 O43570 6/20 0.55
▸ CA14 Q9ULX7 2/20 0.54
▸ CA7 P43166 1/20 0.54
▸ ALB P02768 2/20 0.54
▸ HTR3A P46098 2/20 0.49
▸ FKBP1A P62942 2/20 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
SCHEMBL22100260 0.96 FOLH1 (0.59) FOLH1CA9CA1CA2CA12
SCHEMBL19354963 0.95 CA9 (0.53) FOLH1CA9CA1CA2CA12
SCHEMBL21610017 0.95 CA9 (0.53) FOLH1CA9CA1CA2CA12
SCHEMBL13012837 0.94 CA9 (0.60) FOLH1CA9CA1CA2CA12
SCHEMBL13062332 0.91 CA9 (0.57) FOLH1CA9CA1CA2CA12
SCHEMBL20529844 0.91 FOLH1 (0.61) FOLH1CA9CA1CA2CA12
SCHEMBL10060089 0.91 FOLH1 (0.61) FOLH1CA9CA1CA2CA12
SCHEMBL18807599 0.91 FOLH1 (0.61) FOLH1CA9CA1CA2CA12
SCHEMBL31380586 0.91 FOLH1 (0.61) FOLH1CA9CA1CA2CA12
SCHEMBL13424224 0.90 FOLH1 (0.61) FOLH1CA9CA1CA2CA12

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-3656403-B1 PREPARATION PROCESS OF PSMA BINDING LIGAND-LINKER CONJUGATES PURDUE RESEARCH FOUNDATION (US) 2022-05-11 — — EP disclosed
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