SCHEMBL16095591

SCHEMBL16095591

CCOc1ccc([N+](=O)[O-])c(CC(C)(C)CO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RAB9A P51151 7/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14782163 0.86 MEN1 (0.46) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL5005582 0.83 MAPT (0.63) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL22291692 0.81 MAPT (0.69) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL22389455 0.76 MAPT (0.61) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL21677327 0.76 MAPT (0.51) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL21677249 0.75 MAPT (0.50) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL6677275 0.75 MAPT (0.73) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL18972415 0.75 MAPT (0.56) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL14334021 0.75 MAPT (0.56) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL1667912 0.74 ALDH1A1 (0.56) ALDH1A1RAB9AKMT2ANPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970365-A1 PHOTOCLEAVABLE DEOXYNUCLEOTIDES WITH HIGH-RESOLUTION CONTROL OF DEPROTECTION KINETICS Ibis Biosciences, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014150845-A1 PHOTOCLEAVABLE DEOXYNUCLEOTIDES WITH HIGH-RESOLUTION CONTROL OF DEPROTECTION KINETICS IBIS BIOSCIENCES, INC. (US) 2014-09-25 — — WO disclosed
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