SCHEMBL18318906

SCHEMBL18318906

CCCCCCc1ccc(N(C2=C3C=CC(=N3)C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3C=CC(=N3)C(C#Cc3ccc(C(=O)O)cc3)=C3C=CC(=N3)C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3C=CC2=N3)c2ccc(CCCCCC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RARA P10276 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN11 Q06124 1/20 0.36
▸ PTPRO Q16827 1/20 0.36
▸ PTGES O14684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ PLA2G4A P47712 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXRA P19793 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
SCHEMBL18318902 0.69 TOP1 (0.42) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2314604 0.65 RARB (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2310945 0.65 RARB (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10717982 0.64 MAPT (0.47) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL3474362 0.64 MAPT (0.47) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1811178 0.64 RARB (0.73) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2855520 0.64 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL15998840 0.63 RARB (0.46) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL15998859 0.63 RARB (0.44) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2402922 0.63 RARB (0.71) RARBMEN1ALDH1A1RARAMAPT

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
US-10695723-B2 Dye sensitized photoactive surfaces MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-06-30 — — US disclosed
US-20160367946-A1 DYE SENSITIZED PHOTOACTIVE SURFACES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-22 — — US disclosed
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