SCHEMBL16602018

SCHEMBL16602018

CCOC(=O)C(C(=O)OCC)=c1c(=O)c2ccc(-c3ccc(CO)cc3)c3c(-c4ccc(CO)cc4)ccc1c32

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ PIN4 Q9Y237 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ ALDH2 P05091 2/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ BRD4 O60885 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
SCHEMBL16601994 0.73 MCL1 (0.49) BRD4
SCHEMBL17715422 0.68 EGFR (0.35) ALDH1A1KMT2ABRD4MEN1HPGD
SCHEMBL16601754 0.65 PTGS2 (0.42) ALDH1A1KMT2ACA12CA2CA4
SCHEMBL13531603 0.63 ALDH1A1 (0.49) ALDH1A1KMT2ACA12CA2CA3
SCHEMBL16602014 0.63 MCL1 (0.43) —
SCHEMBL16602007 0.62 MCL1 (0.56) BRD4
SCHEMBL8026489 0.62 CA12 (0.59) ALDH1A1KMT2ACA12CA2CA7
SCHEMBL8873262 0.61 TSHR (0.61) ALDH1A1KMT2ACA12CA2CA3
SCHEMBL14354769 0.60 MEN1 (0.70) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL6207253 0.59 CYP4Z1 (0.55) ALDH1A1KMT2ACYP4F2CYP4A11MEN1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 — — US disclosed
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