SCHEMBL11780469

SCHEMBL11780469

COc1ccc2c3c(ccc(OC)c13)C(=O)N(OCC(C)O)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ PRMT1 Q99873 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL11780441 0.80 PRMT1 (0.43) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL11780900 0.79 KMT2A (0.42) POLBSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL11780641 0.78 TDP1 (0.42) POLBSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL31208299 0.77 POLB (0.58) POLBSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL2296725 0.77 POLB (0.58) POLBSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL2296722 0.77 POLB (0.58) POLBSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL11805335 0.77 ALDH1A1 (0.48) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL11805255 0.77 TDP1 (0.42) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL11780454 0.76 POLB (0.40) POLBSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL11782877 0.75 ALDH1A1 (0.42) POLBSMN1; SMN2MAPTKMT2AKDM4E

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-3941791-A OPTICAL BRIGHTENER BASF AKTIENGESELLSCHAFT (DT) 1976-03-02 — — US disclosed
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