SCHEMBL12345942

SCHEMBL12345942

COc1ccc(C(c2ccccc2)c2ccc(OC(=O)CCCCCCCCC(C)=O)cc2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36

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
SCHEMBL14802303 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL14579684 0.77 CYP1A2 (0.57) EGFRERBB2MEN1KMT2AHSD17B10
SCHEMBL12345948 0.76 BRD4 (0.38) MEN1KMT2AALDH1A1L3MBTL1PRSS1
SCHEMBL12346028 0.76 SLC6A2 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL141628 0.75 CA1 (0.47) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL12345943 0.75 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12345950 0.72 OPRM1 (0.38) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL21537921 0.71 KMT2A (0.40) EGFRERBB2MEN1KMT2AHSD17B10
SCHEMBL14579700 0.71 KDM4E (0.44) EGFRERBB2MEN1KMT2AHSD17B10
SCHEMBL18907050 0.70 KMT2A (0.50) EGFRERBB2MEN1KMT2AHSD17B10

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
US-20110189603-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND MANUFACTURING METHOD THEREOF FUJI ELECTRIC SYSTEMS CO., LTD. (JP) 2011-08-04 — — US disclosed
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