SCHEMBL12995999

SCHEMBL12995999

Cc1ccc(O)c(CNCCN(CCNCc2cc(C)ccc2O)CCNCc2cc(C)ccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CA12 O43570 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CA9 Q16790 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MPO P05164 1/20 0.39

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
SCHEMBL21214895 0.89 TERT (0.47) AMY1ANPSR1CA12CA2MEN1
SCHEMBL2795115 0.88 NPSR1 (0.55) AMY1ANPSR1CA12CA2MEN1
SCHEMBL13186842 0.83 EGFR (0.51) CA12CA2MAPTCA9KDM4E
SCHEMBL18754079 0.83 AMY1A (0.49) AMY1ANPSR1CA12CA2MEN1
SCHEMBL13896556 0.83 AMY1A (0.49) AMY1ANPSR1CA12CA2MEN1
SCHEMBL24454069 0.81 AMY1A (0.47) AMY1ANPSR1CA12CA2MEN1
Hydrochloric Acid SCHEMBL28917664 0.80 AMY1A (0.46) AMY1ANPSR1CA12CA2MEN1
Acetic Acid SCHEMBL11587316 0.80 NPSR1 (0.49) AMY1ANPSR1CA12CA2MEN1
SCHEMBL15383498 0.79 AMY1A (0.52) AMY1ANPSR1CA12CA2MEN1
SCHEMBL11119500 0.78 CA12 (0.51) AMY1ANPSR1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394499-B2 Methods relating to fuel compositions INNOSPEC LIMITED (GB) 2016-07-19 — — US disclosed
US-9315752-B2 Fuel compositions INNOSPEC LIMITED (GB) 2016-04-19 — — US disclosed
US-9243199-B2 Fuel compositions INNOSPEC LIMITED (GB) 2016-01-26 — — US disclosed
US-9163190-B2 Fuel compositions INNOSPEC LIMITED (GB) 2015-10-20 — — US disclosed
US-9157041-B2 Fuel compositions INNOSPEC LIMITED (GB) 2015-10-13 — — US disclosed
US-20150225662-A1 METHODS RELATING TO FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2015-08-13 — — US disclosed
US-9085740-B2 Methods relating to fuel compositions INNOSPEC LIMITED (GB) 2015-07-21 — — US disclosed
US-20140190072-A1 FUEL COMPOSITIONS REID JACQUELINE (GB) 2014-07-10 — — US disclosed
US-20130186360-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2013-07-25 — — US disclosed
US-20100299992-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-12-02 — — US disclosed
US-20100281760-A1 Fuel Compositions INNOSPEC LIMITED (GB) 2010-11-11 — — US disclosed
US-20100263261-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-10-21 — — US disclosed
US-20100258070-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-10-14 — — US disclosed
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