SCHEMBL14422744

SCHEMBL14422744

C=C(C)C(=O)OCCNC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)ccc3O)n21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 4/20 0.41
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ ESRRB O95718 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 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
SCHEMBL13300776 0.89 ESRRG (0.46) ESRRGRAB9ANPC1POLBCASP3
SCHEMBL812950 0.88 POLB (0.34) ESRRGPOLBKMT2AF10PRSS1
SCHEMBL13159278 0.88 POLB (0.34) ESRRGPOLBKMT2AF10PRSS1
SCHEMBL13300777 0.86 ESRRG (0.50) ESRRGRAB9ANPC1POLBCASP3
SCHEMBL14422746 0.85 SERPINE1 (0.34) ESRRGPOLBKMT2AHTTLMNA
SCHEMBL14422739 0.85 MAPT (0.38) RAB9APOLBMAPTSMN1; SMN2TP53
SCHEMBL13400568 0.85 POLB (0.39) NPC1POLBKMT2AMAPTSMN1; SMN2
SCHEMBL13400567 0.81 ESRRG (0.36) ESRRGF10PRSS1HPGDALDH1A1
SCHEMBL14422754 0.80 MEN1 (0.35) KMT2AMEN1
SCHEMBL13400021 0.80 POLB (0.34) RAB9APOLBKMT2AHTTLMNA

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-20070218218-A1 Cellulose acylate optical film, producing method thereof, polarizing plate and liquid crystal display using the same KONICA MINOLTA OPTO, INC. (JP) 2007-09-20 — — US disclosed
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