SCHEMBL27982502

SCHEMBL27982502

COc1cc(CC(C)(C)CO)c([N+](=O)[O-])cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL14782199 0.89 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL25083003 0.84 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL67755 0.81 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL29976361 0.81 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL14782163 0.80 MEN1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6573968 0.78 RAB9A (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL18040256 0.78 RAB9A (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL3645769 0.77 ALDH1A1 (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL124590 0.77 ALDH1A1 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL4043187 0.76 ALDH1A1 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1

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
CN-104024269-A 5-methoxy, 3' -OH unblocked, rapidly photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN INC 2014-09-03 — — CN disclosed
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