SCHEMBL13908710

SCHEMBL13908710

CCn1c2c(c3cc(/C=C/CC(C)(C)c4cc(C(=O)NCCSSCCNC(=O)c5ccc6c(c5)C(C)(C)C(/C=C/c5ccc7c(c5)c5c(n7CC)CCC=C5)=[N+]6C)ccc4NC)ccc31)C=CCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13908725 0.96 VDR (0.32) VDRMEN1NPC1S1PR4ALDH1A1
SCHEMBL13908694 0.77 VDR (0.40) VDRMEN1NPC1S1PR4ALDH1A1
SCHEMBL13908726 0.69 PTGS1 (0.36) VDRMEN1NPC1ALDH1A1LMNA
SCHEMBL13908684 0.63 SMN1; SMN2 (0.35) MEN1ALDH1A1LMNAMAPTTHRB
SCHEMBL13005151 0.63 VDR (0.49) VDRMEN1NPC1S1PR4ALDH1A1
SCHEMBL13763331 0.60 MAPT (0.41) MEN1NPC1ALDH1A1LMNAPOLB
SCHEMBL11932973 0.60 PTGER4 (0.36) ALDH1A1LMNAPOLBMAPTPKM
SCHEMBL13862424 0.60 SRC (0.31) POLBPKM
SCHEMBL13908728 0.59 PTGER4 (0.51) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL13908683 0.59 VDR (0.41) VDRMEN1NPC1S1PR4ALDH1A1

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
WO-2009037348-A1 INDOLINIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISNG THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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