SCHEMBL23889705

SCHEMBL23889705

CCC(C)C1CC(=O)N(CCCCCNC(=O)C2(C(=O)NCC(=O)Nc3ccc(CO)cc3)CCC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.34
▸ PSEN1 P49768 6/20 0.34
▸ PSEN2 P49810 6/20 0.34
▸ APH1B Q8WW43 6/20 0.34
▸ NCSTN Q92542 6/20 0.34
▸ APH1A Q96BI3 6/20 0.34
▸ PSENEN Q9NZ42 6/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ FPR3 P25089 2/20 0.31
▸ FPR2 P25090 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ AKR1B1 P15121 1/20 0.30

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
SCHEMBL19684092 0.93 MEN1 (0.34) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL23889723 0.90 PSEN1 (0.34) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL19698830 0.90 ALDH1A1 (0.33) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL21949515 0.86 MEN1 (0.34) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL19684096 0.83 MEN1 (0.33) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL20830999 0.81 OPRM1 (0.36) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL22220123 0.77 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL19698802 0.77 KMT2A (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25091347 0.75 PSEN1 (0.36) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL22219876 0.75 HTR1A (0.36) MEN1KMT2ASMN1; SMN2POLBALDH1A1

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-3464280-B1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2021-10-06 — — EP disclosed
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