SCHEMBL6925442

SCHEMBL6925442

O=Cc1ccc(N(c2ccc(CO)cc2)c2ccc(CO)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ ALDH1A3 P47895 2/20 0.53
▸ ALDH3A1 P30838 1/20 0.53
▸ CYP2A6 P11509 3/20 0.47
▸ CYP2A13 Q16696 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH5A1 P51649 1/20 0.41
▸ ABAT P80404 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC2 Q92769 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL4724961 1.00 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL14569680 0.93 KMT2A (0.47) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL1124751 0.87 ALDH5A1 (0.52) ALDH1A1ALDH1A3ALDH3A1CYP2A6HDAC8
SCHEMBL13404826 0.87 ALDH1A1 (0.58) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL10068137 0.85 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL28741440 0.85 CYP2A6 (0.70) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL14173988 0.83 HDAC8 (0.44) HDAC8HPGDMAPTSMN1; SMN2HDAC2
SCHEMBL19313179 0.83 HDAC8 (0.44) HDAC8HPGDMAPTSMN1; SMN2HDAC2
SCHEMBL15102329 0.83 HDAC8 (0.44) HDAC8HPGDMAPTSMN1; SMN2HDAC2
SCHEMBL24197429 0.83 HDAC8 (0.56) ALDH1A1ALDH1A3ALDH3A1CYP2A6HDAC8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200926-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2011-08-18 — — US disclosed
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 — — US disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 — — WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 — — EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 — — WO disclosed
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