SCHEMBL16063177

SCHEMBL16063177

O=C(O)c1cccc(SCC(O)C(O)CS)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 4/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.32
▸ DTYMK P23919 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31

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
SCHEMBL10024450 0.81 TSHR (0.46) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL10024500 0.79 TP53 (0.43) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL10024498 0.77 PDE7A (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9498874 0.75 ALDH1A1 (0.46) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL21802326 0.74 TSHR (0.47) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1043222 0.74 POLB (0.57) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL30534229 0.74 POLB (0.57) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL4904 0.74 POLB (0.57) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27830765 0.74 TSHR (0.50) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1533771 0.71 TSHR (0.44) MAPTKMT2AMEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732382-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-08-15 — — US disclosed
US-20150079603-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-03-19 — — US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 — — US disclosed
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