SCHEMBL11529213

SCHEMBL11529213

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TOP2A P11388 5/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL11527538 0.80 PRMT1 (0.42) PRMT1KDM4EKMT2AALDH1A1MAPT
SCHEMBL11535555 0.79 L3MBTL1 (0.40) KDM4EKMT2AALDH1A1MAPTLMNA
SCHEMBL11530531 0.78 PRMT1 (0.45) PRMT1KDM4EKMT2AALDH1A1MAPT
SCHEMBL11531210 0.78 NPC1 (0.42) PRMT1KDM4EKMT2AALDH1A1MAPT
SCHEMBL16864815 0.74 L3MBTL1 (0.49) KDM4EKMT2AALDH1A1MAPTLMNA
SCHEMBL22649171 0.74 CYP1A2 (0.46) KDM4EKMT2AALDH1A1MAPTLMNA
SCHEMBL11040911 0.72 PRMT1 (0.67) PRMT1KDM4EKMT2AALDH1A1MAPT
SCHEMBL5376386 0.72 KDM4E (0.41) PRMT1KDM4EKMT2AALDH1A1MAPT
SCHEMBL11780469 0.70 POLB (0.44) PRMT1KDM4EKMT2AALDH1A1MAPT
SCHEMBL20735081 0.69 RAB9A (0.56) PRMT1KDM4EKMT2AALDH1A1MAPT

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-4139532-A OPTICAL BRIGHTENERS FOR POLYESTERS AND THEIR BLENDS WITH COTTON BASF AKTIENGESELLSCHAFT (DE) 1979-02-13 — — US disclosed
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