SCHEMBL9910178

SCHEMBL9910178

O=C(O)C(=O)CC1CNc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.42
EGFR P00533 2/20 0.39
ALDH1A1 P00352 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 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
SCHEMBL17072375 0.88 CCKBR (0.41) CCKBREGFRALDH1A1MTNR1AMTNR1B
SCHEMBL3964364 0.87 EGFR (0.47) CCKBREGFRALDH1A1
SCHEMBL3958089 0.87 EGFR (0.47) CCKBREGFRALDH1A1
SCHEMBL2605809 0.87 EGFR (0.47) CCKBREGFRALDH1A1
SCHEMBL5635451 0.82 HSD17B10 (0.43) CCKBREGFRALDH1A1MTNR1AMTNR1B
SCHEMBL13298503 0.82 MTNR1A (0.41) CCKBREGFRMTNR1AMTNR1B
SCHEMBL10820393 0.79 CCKBR (0.39) CCKBRMTNR1AMTNR1B
SCHEMBL28369724 0.79 SMN1; SMN2 (0.50) ALDH1A1
SCHEMBL10819639 0.78 ALDH1A1 (0.39) CCKBREGFRALDH1A1MTNR1AMTNR1B
SCHEMBL28775841 0.78 EGFR (0.52) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322441-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CODON DEVICES, INC. 2015-11-12 US disclosed
US-20150252392-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS CODON DEVICES, INC. 2015-09-10 US disclosed
US-9062314-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2015-06-23 US disclosed
US-20140206069-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2014-07-24 US disclosed
US-8778642-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2014-07-15 US disclosed
US-8722385-B2 Biological synthesis of difunctional hexanes and pentanes from carbohydrate feedstocks CELEXION, LLC (US) 2014-05-13 US disclosed
US-8404465-B2 Biological synthesis of 6-aminocaproic acid from carbohydrate feedstocks CELEXION, LLC (US) 2013-03-26 US disclosed
EP-2460884-A2 Process for preparing monatin Ajinomoto Co., Inc. (JP) 2012-06-06 EP disclosed
US-8192976-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-06-05 US disclosed
US-20100151536-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC 2010-06-17 US disclosed