SCHEMBL1814746

SCHEMBL1814746

NC(O)(C=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.46
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 2/20 0.39
HTT P42858 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PTPN1 P18031 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8854227 0.76 KCNN4 (0.46) KCNN4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL28262851 0.75 KCNN4 (0.50) KCNN4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL1332508 0.75 CYP2C9 (0.41) KCNN4CYP1A2MAPTKMT2ACYP2C9
SCHEMBL6379504 0.75 KCNN4 (0.50) KCNN4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL863162 0.75 KDM4E (0.44) KCNN4CYP1A2MAPTKMT2ACYP2C9
Hydrochloric Acid SCHEMBL5966852 0.74 KCNN4 (0.44) KCNN4CYP1A2CYP2D6MAPTKMT2A
Hydrochloric Acid SCHEMBL5967280 0.74 KCNN4 (0.44) KCNN4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL4770840 0.73 CYP1A2 (0.47) KCNN4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL10837928 0.71 ESR1 (0.46) KCNN4CYP1A2MAPTKMT2ACYP2C9
SCHEMBL10838072 0.71 ESR1 (0.46) KCNN4CYP1A2MAPTKMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8491943-B2 Method and composition for improved anabolism BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) 2013-07-23 US disclosed
US-20120225139-A1 Method and Composition for Improved Anabolism BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) 2012-09-06 US disclosed
US-8173181-B2 Method and composition for improved anabolism BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) 2012-05-08 US disclosed
US-20110111066-A1 METHOD AND COMPOSITION FOR IMPROVED ANABOLISM BIO-ENGINEERED SUPPLEMENTS AND NUTRITION, INC. (US) 2011-05-12 US disclosed